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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-bromophenyl)methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(2-bromophenyl)methanesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide Traditional Name: N-(2-bromophenyl)-N-[2-keto-2-(4-piperonylpiperazino)ethyl]methanesulfonamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H24BrN3O5S/c1-31(27,28)25(18-5-3-2-4-17(18)22)14-21(26)24-10-8-23(9-11-24)13-16-6-7-19-20(12-16)30-15-29-19/h2-7,12H,8-11,13-15H2,1H3