2-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(oxidanylcarbamoyl)piperidin-1-yl]methyl]benzoate hydrochloride

Systemtic Name: 2-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(oxidanylcarbamoyl)piperidin-1-yl]methyl]benzoate hydrochloride Openeye Name: 2-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)-1-piperidyl]methyl]benzoate hydrochloride CAS Name: 2-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-[(hydroxyamino)-oxomethyl]-1-piperidinyl]methyl]benzoate hydrochloride IUPAC Name: 2-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]methyl]benzoate hydrochloride Traditional Name: 2-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidino]methyl]benzoate hydrochloride Formula: C24H26ClN2O7S- MolecularWeight: 521.99044

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3C(=O)[O-])C(=O)NO.Cl

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3C(=O)[O-])C(=O)NO.Cl

InChI

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