N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-bromanyl-4-methoxy-N-(4-methylphenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-bromanyl-4-methoxy-N-(4-methylphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-3-bromo-4-methoxy-N-(p-tolyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3-bromo-4-methoxy-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-3-bromo-4-methoxy-N-(4-methylphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-3-bromo-4-methoxy-N-(p-tolyl)benzenesulfonamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4S/c1-17-7-9-18(10-8-17)25(16-22(26)24-13-5-3-4-6-14-24)30(27,28)19-11-12-21(29-2)20(23)15-19/h7-12,15H,3-6,13-14,16H2,1-2H3