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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-N-(3,4-dimethylphenyl)methanesulfonamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-(3,4-dimethylphenyl)methanesulfonamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]phenyl]methyl]-N-(3,4-dimethylphenyl)methanesulfonamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-(3,4-dimethylphenyl)methanesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)benzyl]-N-(3,4-dimethylphenyl)methanesulfonamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-18-8-13-22(16-19(18)2)25(29(3,27)28)17-20-9-11-21(12-10-20)23(26)24-14-6-4-5-7-15-24/h8-13,16H,4-7,14-15,17H2,1-3H3