4-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[2-(ethylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-(ethylthio)benzoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C19H24N4O4S2/c1-3-28-17-7-5-4-6-15(17)19(25)22-8-10-23(11-9-22)29(26,27)14-12-16(18(20)24)21(2)13-14/h4-7,12-13H,3,8-11H2,1-2H3,(H2,20,24)