4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(oxidanylcarbamoyl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(oxidanylcarbamoyl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)-1-piperidyl]methyl]benzoic acid CAS Name: 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-[(hydroxyamino)-oxomethyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidino]methyl]benzoic acid Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)C(=O)O)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)C(=O)O)C(=O)NO

InChI

InChI=1S/C24H26N2O7S/c1-2-3-16-33-20-8-10-21(11-9-20)34(31,32)24(23(29)25-30)12-14-26(15-13-24)17-18-4-6-19(7-5-18)22(27)28/h4-11,30H,12-17H2,1H3,(H,25,29)(H,27,28)