methyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CNC(=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CNC(=C3)C(=O)OC

InChI

InChI=1S/C17H21N3O5S/c1-24-14-5-3-13(4-6-14)19-7-9-20(10-8-19)26(22,23)15-11-16(18-12-15)17(21)25-2/h3-6,11-12,18H,7-10H2,1-2H3