4-methyl-2-naphthalen-2-ylsulfonyl-N-[3-oxidanylidene-1-(phenylmethyl)azepan-4-yl]pentanamide

Systemtic Name: 4-methyl-2-naphthalen-2-ylsulfonyl-N-[3-oxidanylidene-1-(phenylmethyl)azepan-4-yl]pentanamide Openeye Name: N-(1-benzyl-3-oxo-azepan-4-yl)-4-methyl-2-(2-naphthylsulfonyl)pentanamide CAS Name: 4-methyl-2-(2-naphthalenylsulfonyl)-N-[3-oxo-1-(phenylmethyl)-4-azepanyl]pentanamide IUPAC Name: N-(1-benzyl-3-oxoazepan-4-yl)-4-methyl-2-naphthalen-2-ylsulfonylpentanamide Traditional Name: N-(1-benzyl-3-keto-azepan-4-yl)-4-methyl-2-(2-naphthylsulfonyl)valeramide Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H34N2O4S/c1-21(2)17-28(36(34,35)25-15-14-23-11-6-7-12-24(23)18-25)29(33)30-26-13-8-16-31(20-27(26)32)19-22-9-4-3-5-10-22/h3-7,9-12,14-15,18,21,26,28H,8,13,16-17,19-20H2,1-2H3,(H,30,33)