N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-[(N-mesyl-3-methyl-anilino)methyl]benzamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4)S(=O)(=O)C

InChI

InChI=1S/C29H33N3O4S/c1-22-10-9-11-25(20-22)32(37(2,35)36)21-23-14-16-24(17-15-23)28(33)30-27-13-6-5-12-26(27)29(34)31-18-7-3-4-8-19-31/h5-6,9-17,20H,3-4,7-8,18-19,21H2,1-2H3,(H,30,33)