4-[4-(3-methylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[4-(3-methylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(4-isopentyloxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-[4-(3-methylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-[4-(3-methylbutoxy)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-(4-isoamoxyphenyl)sulfonyl-isonipecotic acid Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H31NO5S/c1-19(2)12-17-30-21-8-10-22(11-9-21)31(28,29)24(23(26)27)13-15-25(16-14-24)18-20-6-4-3-5-7-20/h3-11,19H,12-18H2,1-2H3,(H,26,27)