methyl 4-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[(4-benzyl-1-piperidyl)sulfonyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-benzylpiperidino)sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S/c1-24-18(21)17-12-16(13-19-17)25(22,23)20-9-7-15(8-10-20)11-14-5-3-2-4-6-14/h2-6,12-13,15,19H,7-11H2,1H3