4-[4-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(2-methoxy-4-methylsulfanyl-benzoyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(2-methoxy-4-methylsulfanylbenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-methoxy-4-(methylthio)benzoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H24N4O5S2 MolecularWeight: 452.54766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C19H24N4O5S2/c1-21-12-14(11-16(21)18(20)24)30(26,27)23-8-6-22(7-9-23)19(25)15-5-4-13(29-3)10-17(15)28-2/h4-5,10-12H,6-9H2,1-3H3,(H2,20,24)