ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-m-anisyl-isonipecotic acid ethyl ester Formula: C26H35NO6S MolecularWeight: 489.6242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)OCC

InChI

InChI=1S/C26H35NO6S/c1-4-6-18-33-22-10-12-24(13-11-22)34(29,30)26(25(28)32-5-2)14-16-27(17-15-26)20-21-8-7-9-23(19-21)31-3/h7-13,19H,4-6,14-18,20H2,1-3H3