N-[3-(azepan-1-yl)propyl]-2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: 2-(3-acetyl-N-methylsulfonyl-anilino)-N-[3-(azepan-1-yl)propyl]acetamide CAS Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(1-azepanyl)propyl]acetamide IUPAC Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(azepan-1-yl)propyl]acetamide Traditional Name: 2-(3-acetyl-N-mesyl-anilino)-N-[3-(azepan-1-yl)propyl]acetamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C20H31N3O4S/c1-17(24)18-9-7-10-19(15-18)23(28(2,26)27)16-20(25)21-11-8-14-22-12-5-3-4-6-13-22/h7,9-10,15H,3-6,8,11-14,16H2,1-2H3,(H,21,25)