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

Systemtic Name: methyl 1-methyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-4-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-[3-methyl-4-(m-tolyl)piperazino]sulfonyl-pyrrole-2-carboxylic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-14-6-5-7-16(10-14)22-9-8-21(12-15(22)2)27(24,25)17-11-18(19(23)26-4)20(3)13-17/h5-7,10-11,13,15H,8-9,12H2,1-4H3