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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3,4-dimethylphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3,4-dimethylphenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3,4-dimethylphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3,4-dimethylphenyl)benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-18-12-13-20(16-19(18)2)24(28(26,27)21-10-6-5-7-11-21)17-22(25)23-14-8-3-4-9-15-23/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3