1-[(4-methoxyphenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-p-anisyl-4-(4-propargyloxyphenyl)sulfonyl-isonipecotic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OCC#C

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OCC#C

InChI

InChI=1S/C23H25NO6S/c1-3-16-30-20-8-10-21(11-9-20)31(27,28)23(22(25)26)12-14-24(15-13-23)17-18-4-6-19(29-2)7-5-18/h1,4-11H,12-17H2,2H3,(H,25,26)