4-(3-butoxy-4-methyl-phenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(3-butoxy-4-methyl-phenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(3-butoxy-4-methyl-phenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-(3-butoxy-4-methylphenyl)sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-(3-butoxy-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-(3-butoxy-4-methyl-phenyl)sulfonyl-isonipecotic acid Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5S/c1-3-4-16-30-22-17-21(11-10-19(22)2)31(28,29)24(23(26)27)12-14-25(15-13-24)18-20-8-6-5-7-9-20/h5-11,17H,3-4,12-16,18H2,1-2H3,(H,26,27)