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

Systemtic Name: ethyl 4-[4-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[4-[(5-chloro-2-methoxy-phenyl)carbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[4-[(5-chloro-2-methoxyanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[4-[(5-chloro-2-methoxy-phenyl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28ClN3O6S MolecularWeight: 497.99222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O6S/c1-5-32-22(28)19-13(2)24-14(3)20(19)33(29,30)26-10-8-15(9-11-26)21(27)25-17-12-16(23)6-7-18(17)31-4/h6-7,12,15,24H,5,8-11H2,1-4H3,(H,25,27)