4-(4-butoxyphenyl)sulfonyl-1-[methoxy(phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-1-[methoxy(phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-butoxyphenyl)sulfonyl-1-[methoxy(phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[methoxy(phenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-butoxyphenyl)sulfonyl-1-[methoxy(phenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-[methoxy(phenyl)methyl]isonipecotic acid Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6S/c1-3-4-18-31-20-10-12-21(13-11-20)32(28,29)24(23(26)27)14-16-25(17-15-24)22(30-2)19-8-6-5-7-9-19/h5-13,22H,3-4,14-18H2,1-2H3,(H,26,27)