methyl 5-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[1-(4-acetamidophenyl)sulfonyl-4-piperidyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[1-(4-acetamidophenyl)sulfonyl-4-piperidinyl]amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[1-(4-acetamidophenyl)sulfonyl-4-piperidyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H28N4O6S/c1-13-19(22(29)32-4)14(2)23-20(13)21(28)25-17-9-11-26(12-10-17)33(30,31)18-7-5-16(6-8-18)24-15(3)27/h5-8,17,23H,9-12H2,1-4H3,(H,24,27)(H,25,28)