5-(azepan-1-ylcarbonyl)-N-(3,4-dimethylphenyl)-2-methyl-benzenesulfonamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-(3,4-dimethylphenyl)-2-methyl-benzenesulfonamide Openeye Name: 5-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-2-methyl-benzenesulfonamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide Traditional Name: 5-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-2-methyl-benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCCC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCCC3)C)C

InChI

InChI=1S/C22H28N2O3S/c1-16-9-11-20(14-18(16)3)23-28(26,27)21-15-19(10-8-17(21)2)22(25)24-12-6-4-5-7-13-24/h8-11,14-15,23H,4-7,12-13H2,1-3H3