1-methyl-4-[4-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[4-(4-methylsulfanylphenyl)-4-oxo-butanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[4-[4-(methylthio)phenyl]-1,4-dioxobutyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[4-(4-methylsulfanylphenyl)-4-oxobutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[4-keto-4-[4-(methylthio)phenyl]butanoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S2/c1-23-14-17(13-18(23)21(22)28)32(29,30)25-11-9-24(10-12-25)20(27)8-7-19(26)15-3-5-16(31-2)6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H2,22,28)