N-[3-(azepan-1-yl)propyl]-2-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[3-methoxy-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(3-methoxy-N-tosyl-anilino)acetamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H35N3O4S/c1-21-11-13-24(14-12-21)33(30,31)28(22-9-7-10-23(19-22)32-2)20-25(29)26-15-8-18-27-16-5-3-4-6-17-27/h7,9-14,19H,3-6,8,15-18,20H2,1-2H3,(H,26,29)