2,4-dimethyl-5-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoyl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2,4-dimethyl-5-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 2,4-dimethyl-5-[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]-1H-pyrrole-3-carboxylic acid CAS Name: 2,4-dimethyl-5-[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 2,4-dimethyl-5-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 2,4-dimethyl-5-[2-[4-(2-thienylsulfonyl)piperazino]acetyl]-1H-pyrrole-3-carboxylic acid Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3O5S2/c1-11-15(17(22)23)12(2)18-16(11)13(21)10-19-5-7-20(8-6-19)27(24,25)14-4-3-9-26-14/h3-4,9,18H,5-8,10H2,1-2H3,(H,22,23)