N-[1-(4-bromophenyl)-2-oxidanylidene-piperidin-3-yl]-3-cyano-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-[1-(4-bromophenyl)-2-oxidanylidene-piperidin-3-yl]-3-cyano-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-[1-(4-bromophenyl)-2-oxo-3-piperidyl]-3-cyano-benzenesulfonamide CAS Name: N-[1-(4-bromophenyl)-2-oxo-3-piperidinyl]-3-cyano-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-3-cyanobenzenesulfonamide Traditional Name: N-benzyl-N-[1-(4-bromophenyl)-2-keto-3-piperidyl]-3-cyano-benzenesulfonamide Formula: C25H22BrN3O3S MolecularWeight: 524.42948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)C2=CC=C(C=C2)Br)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC(C(=O)N(C1)C2=CC=C(C=C2)Br)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H22BrN3O3S/c26-21-11-13-22(14-12-21)28-15-5-10-24(25(28)30)29(18-19-6-2-1-3-7-19)33(31,32)23-9-4-8-20(16-23)17-27/h1-4,6-9,11-14,16,24H,5,10,15,18H2