N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-phthalimido-butyramide Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O5S/c1-18-12-13-19(17-22(18)34(32,33)27-14-6-2-3-7-15-27)26-23(29)11-8-16-28-24(30)20-9-4-5-10-21(20)25(28)31/h4-5,9-10,12-13,17H,2-3,6-8,11,14-16H2,1H3,(H,26,29)