ethyl 2,5-dimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[3-methyl-4-(m-tolyl)piperazino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C)C)C

InChI

InChI=1S/C21H29N3O4S/c1-6-28-21(25)19-16(4)22-17(5)20(19)29(26,27)23-10-11-24(15(3)13-23)18-9-7-8-14(2)12-18/h7-9,12,15,22H,6,10-11,13H2,1-5H3