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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C)C(=O)OC

InChI

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