4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C23H25NO8S2 MolecularWeight: 507.5765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO8S2/c1-3-4-17-32-19-7-9-20(10-8-19)33(27,28)23(22(25)26)13-15-24(16-14-23)34(29,30)21-11-5-18(31-2)6-12-21/h5-12H,13-17H2,1-2H3,(H,25,26)