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

Systemtic Name: 1-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide Openeye Name: 1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide CAS Name: 1-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-N3,N4-dimethylpyrrole-3,4-disulfonamide IUPAC Name: 1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-3-N,4-N-dimethylpyrrole-3,4-disulfonamide Traditional Name: 1-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-N,N'-dimethyl-pyrrole-3,4-disulfonamide Formula: C20H27N5O6S2 MolecularWeight: 497.58828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=C(C(=C3)S(=O)(=O)NC)S(=O)(=O)NC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=C(C(=C3)S(=O)(=O)NC)S(=O)(=O)NC

InChI

InChI=1S/C20H27N5O6S2/c1-15(26)16-4-6-17(7-5-16)24-8-10-25(11-9-24)20(27)14-23-12-18(32(28,29)21-2)19(13-23)33(30,31)22-3/h4-7,12-13,21-22H,8-11,14H2,1-3H3