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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-p-anisoyl-isonipecotic acid Formula: C24H25NO7S MolecularWeight: 471.5228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO7S/c1-3-4-17-32-20-9-11-21(12-10-20)33(29,30)24(23(27)28)13-15-25(16-14-24)22(26)18-5-7-19(31-2)8-6-18/h5-12H,13-17H2,1-2H3,(H,27,28)