ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-p-anisyl-isonipecotic acid ethyl ester Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6S/c1-4-6-19-33-23-11-13-24(14-12-23)34(29,30)26(25(28)32-5-2)15-17-27(18-16-26)20-21-7-9-22(31-3)10-8-21/h7-14H,5,15-20H2,1-3H3