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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CNC(=C3)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CNC(=C3)C(=O)OC

InChI

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