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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-[(3-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[4-(m-tolylcarbamoyl)-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[4-[(3-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-[(3-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(m-tolylcarbamoyl)piperidino]sulfonyl-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(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C)C)C

InChI

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