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

Systemtic Name: ethyl 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C22H29N3O5S/c1-6-30-22(27)19-16(4)20(23-17(19)5)21(26)24-9-11-25(12-10-24)31(28,29)18-8-7-14(2)15(3)13-18/h7-8,13,23H,6,9-12H2,1-5H3