1-(4-chlorophenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrole-2,5-dione

Systemtic Name: 1-(4-chlorophenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 1-(4-chlorophenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrole-2,5-dione CAS Name: 1-(4-chlorophenyl)-3-[4-(4-methylsulfonylphenyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 1-(4-chlorophenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrole-2,5-dione Traditional Name: 1-(4-chlorophenyl)-3-[4-(4-mesylphenyl)piperazino]-3-pyrroline-2,5-quinone Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-30(28,29)18-8-6-16(7-9-18)23-10-12-24(13-11-23)19-14-20(26)25(21(19)27)17-4-2-15(22)3-5-17/h2-9,14H,10-13H2,1H3