ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-pyridylmethyl)piperidine-4-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-pyridinylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-pyridylmethyl)isonipecotic acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C24H28N2O5S/c1-3-5-17-31-21-8-10-22(11-9-21)32(28,29)24(23(27)30-4-2)12-15-26(16-13-24)19-20-7-6-14-25-18-20/h6-11,14,18H,4,12-13,15-17,19H2,1-2H3