4-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)N4C=CC=C4)C

InChI

InChI=1S/C21H25N5O4S2/c1-14-15(2)31-21(25-6-4-5-7-25)18(14)20(28)24-8-10-26(11-9-24)32(29,30)16-12-17(19(22)27)23(3)13-16/h4-7,12-13H,8-11H2,1-3H3,(H2,22,27)