N-[3-(azepan-1-yl)propyl]-2-[(2-ethoxyphenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2-ethoxyphenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-2-ethoxy-anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-besyl-2-ethoxy-anilino)acetamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O4S/c1-2-32-24-16-9-8-15-23(24)28(33(30,31)22-13-6-5-7-14-22)21-25(29)26-17-12-20-27-18-10-3-4-11-19-27/h5-9,13-16H,2-4,10-12,17-21H2,1H3,(H,26,29)