4-(4-methoxyphenyl)sulfonyl-1-phenethyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-phenethyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-phenethyl-piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-phenethyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-phenethylpiperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-phenethyl-isonipecotic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25NO5S/c1-27-18-7-9-19(10-8-18)28(25,26)21(20(23)24)12-15-22(16-13-21)14-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,24)