N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(3-bromophenyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(3-bromophenyl)-4-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(3-bromophenyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(3-bromophenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(3-bromophenyl)-4-methylbenzenesulfonamide Traditional Name: N-(3-bromophenyl)-N-[2-keto-2-(4-piperonylpiperazino)ethyl]-4-methyl-benzenesulfonamide Formula: C27H28BrN3O5S MolecularWeight: 586.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C27H28BrN3O5S/c1-20-5-8-24(9-6-20)37(33,34)31(23-4-2-3-22(28)16-23)18-27(32)30-13-11-29(12-14-30)17-21-7-10-25-26(15-21)36-19-35-25/h2-10,15-16H,11-14,17-19H2,1H3