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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(2-thienylsulfonyl)piperazino]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C19H25N3O5S2/c1-4-27-19(24)17-13(2)18(20-14(17)3)15(23)12-21-7-9-22(10-8-21)29(25,26)16-6-5-11-28-16/h5-6,11,20H,4,7-10,12H2,1-3H3