N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethyl)-3-oxidanylidene-1H-isoindole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethyl)-3-oxidanylidene-1H-isoindole-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethyl)-3-oxo-isoindoline-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-2-(2-methoxyethyl)isoindoline-4-carboxamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O5S/c1-32-16-15-26-17-18-7-6-8-21(22(18)24(26)29)23(28)25-19-9-11-20(12-10-19)33(30,31)27-13-4-2-3-5-14-27/h6-12H,2-5,13-17H2,1H3,(H,25,28)