N-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-N-(3-methylphenyl)methanesulfonamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-N-(3-methylphenyl)methanesulfonamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-(m-tolyl)methanesulfonamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]phenyl]methyl]-N-(3-methylphenyl)methanesulfonamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-(3-methylphenyl)methanesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)benzyl]-N-(m-tolyl)methanesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O3S/c1-18-8-7-9-21(16-18)24(28(2,26)27)17-19-10-12-20(13-11-19)22(25)23-14-5-3-4-6-15-23/h7-13,16H,3-6,14-15,17H2,1-2H3