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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-2-propyl-1H-isoindole-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-2-propyl-isoindoline-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-2-propyl-isoindoline-4-carboxamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O4S/c1-2-14-26-17-18-8-7-9-21(22(18)24(26)29)23(28)25-19-10-12-20(13-11-19)32(30,31)27-15-5-3-4-6-16-27/h7-13H,2-6,14-17H2,1H3,(H,25,28)