1-methyl-4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(m-tolylsulfonyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-(3-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(m-tolylsulfonyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C17H22N4O5S2 MolecularWeight: 426.51038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C17H22N4O5S2/c1-13-4-3-5-14(10-13)27(23,24)20-6-8-21(9-7-20)28(25,26)15-11-16(17(18)22)19(2)12-15/h3-5,10-12H,6-9H2,1-2H3,(H2,18,22)