methyl 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 5-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 5-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 5-[4-(4-chlorophenyl)-4-hydroxy-piperidino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O)C(=O)OC

InChI

InChI=1S/C18H21ClN2O5S/c1-20-15(17(22)26-2)7-8-16(20)27(24,25)21-11-9-18(23,10-12-21)13-3-5-14(19)6-4-13/h3-8,23H,9-12H2,1-2H3