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

Systemtic Name: methyl 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(oxidanylcarbamoyl)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-[(hydroxyamino)-oxomethyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidino]methyl]benzoic acid methyl ester Formula: C25H28N2O7S MolecularWeight: 500.56402

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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)OC)C(=O)NO

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O7S/c1-3-4-17-34-21-9-11-22(12-10-21)35(31,32)25(24(29)26-30)13-15-27(16-14-25)18-19-5-7-20(8-6-19)23(28)33-2/h5-12,30H,13-18H2,1-2H3,(H,26,29)