N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(1-methylene-3-oxo-2-isoindolyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O4S/c1-18-21-11-4-5-12-22(21)24(29)27(18)16-13-23(28)25-19-9-8-10-20(17-19)32(30,31)26-14-6-2-3-7-15-26/h4-5,8-12,17H,1-3,6-7,13-16H2,(H,25,28)