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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-[(3-chloro-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-[(3-chloro-N-mesyl-anilino)methyl]benzamide Formula: C28H30ClN3O4S MolecularWeight: 540.0735

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H30ClN3O4S/c1-37(35,36)32(24-10-8-9-23(29)19-24)20-21-13-15-22(16-14-21)27(33)30-26-12-5-4-11-25(26)28(34)31-17-6-2-3-7-18-31/h4-5,8-16,19H,2-3,6-7,17-18,20H2,1H3,(H,30,33)