methyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CNC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CNC(=C3)C(=O)OC)C

InChI

InChI=1S/C18H23N3O4S/c1-13-5-4-6-17(14(13)2)20-7-9-21(10-8-20)26(23,24)15-11-16(19-12-15)18(22)25-3/h4-6,11-12,19H,7-10H2,1-3H3