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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-bromophenyl)-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-bromophenyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3-bromophenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-bromophenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-bromophenyl)-4-methyl-benzenesulfonamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c1-17-9-11-20(12-10-17)28(26,27)24(19-8-6-7-18(22)15-19)16-21(25)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3