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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2-ethylphenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-2-ethyl-anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[N-(benzenesulfonyl)-2-ethylanilino]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-2-ethylanilino]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-besyl-2-ethyl-anilino)acetamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O3S/c1-2-22-13-8-9-16-24(22)28(32(30,31)23-14-6-5-7-15-23)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)