N3,N4-dimethyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyrrole-3,4-disulfonamide

Systemtic Name: N3,N4-dimethyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyrrole-3,4-disulfonamide Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide CAS Name: N3,N4-dimethyl-1-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]pyrrole-3,4-disulfonamide IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-N,4-N-dimethylpyrrole-3,4-disulfonamide Traditional Name: 1-[2-(4-benzylpiperazino)-2-keto-ethyl]-N,N'-dimethyl-pyrrole-3,4-disulfonamide Formula: C19H27N5O5S2 MolecularWeight: 469.57818

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O5S2/c1-20-30(26,27)17-13-23(14-18(17)31(28,29)21-2)15-19(25)24-10-8-22(9-11-24)12-16-6-4-3-5-7-16/h3-7,13-14,20-21H,8-12,15H2,1-2H3