4-(4-methoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)piperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)isonipecotic acid Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC(=CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C18H25NO5S/c1-14(2)8-11-19-12-9-18(10-13-19,17(20)21)25(22,23)16-6-4-15(24-3)5-7-16/h4-8H,9-13H2,1-3H3,(H,20,21)