4-bromanyl-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-N-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide Traditional Name: 4-bromo-N-[2-[4-(4-cyanobenzyl)piperazino]-2-keto-ethyl]-N-methyl-benzenesulfonamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN4O3S/c1-24(30(28,29)20-8-6-19(22)7-9-20)16-21(27)26-12-10-25(11-13-26)15-18-4-2-17(14-23)3-5-18/h2-9H,10-13,15-16H2,1H3