N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3,5-dimethylphenyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3,5-dimethylphenyl)-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3,5-dimethylphenyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3,5-dimethylphenyl)-4-methyl-benzenesulfonamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=CC(=C3)C)C

InChI

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