1-methyl-4-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(2-hydroxy-5-methyl-benzoyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(2-hydroxy-5-methyl-benzoyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-12-3-4-16(23)14(9-12)18(25)21-5-7-22(8-6-21)28(26,27)13-10-15(17(19)24)20(2)11-13/h3-4,9-11,23H,5-8H2,1-2H3,(H2,19,24)