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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[3-methyl-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(3-methyl-N-tosyl-anilino)acetamide Formula: C25H35N3O3S MolecularWeight: 457.6287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3S/c1-21-11-13-24(14-12-21)32(30,31)28(23-10-7-9-22(2)19-23)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)