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

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

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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=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=CC=C3C

InChI

InChI=1S/C25H35N3O3S/c1-21-12-14-23(15-13-21)32(30,31)28(24-11-6-5-10-22(24)2)20-25(29)26-16-9-19-27-17-7-3-4-8-18-27/h5-6,10-15H,3-4,7-9,16-20H2,1-2H3,(H,26,29)