methyl 5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)OC)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)OC)C)C

InChI

InChI=1S/C22H29N3O5S/c1-14-6-7-18(12-15(14)2)31(28,29)25-10-8-24(9-11-25)13-19(26)21-16(3)20(17(4)23-21)22(27)30-5/h6-7,12,23H,8-11,13H2,1-5H3