methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-pyridin-3-ylcarbonyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-pyridin-3-ylcarbonyl-piperidine-4-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(pyridine-3-carbonyl)piperidine-4-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[oxo(3-pyridinyl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(pyridine-3-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-nicotinoyl-isonipecotic acid methyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O6S/c1-3-4-16-31-19-7-9-20(10-8-19)32(28,29)23(22(27)30-2)11-14-25(15-12-23)21(26)18-6-5-13-24-17-18/h5-10,13,17H,11-12,14-16H2,1-2H3