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MFCD03970392 molecular structure
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2-chloro-N-[(1Z)-2-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1H-isoindol-1-ylidene]acetamide

ChemBase ID: 229335
Molecular Formular: C20H22ClN3O3S
Molecular Mass: 419.92498
Monoisotopic Mass: 419.10704026
SMILES and InChIs

SMILES:
C\1(=N/C(=O)CCl)/N(Cc2c1cccc2)c1ccc(S(=O)(=O)N(CC)CC)cc1
Canonical SMILES:
ClCC(=O)/N=C/1\N(Cc2c1cccc2)c1ccc(cc1)S(=O)(=O)N(CC)CC
InChI:
InChI=1S/C20H22ClN3O3S/c1-3-23(4-2)28(26,27)17-11-9-16(10-12-17)24-14-15-7-5-6-8-18(15)20(24)22-19(25)13-21/h5-12H,3-4,13-14H2,1-2H3/b22-20-
InChIKey:
KBSXDTXLCUQVMY-XDOYNYLZSA-N

Cite this record

CBID:229335 http://www.chembase.cn/molecule-229335.html

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