2-[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-2-methyl-4-(oxidanylamino)-4-oxidanylidene-butan-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-2-methyl-4-(oxidanylamino)-4-oxidanylidene-butan-2-yl]sulfanylethanoic acid Openeye Name: 2-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(hydroxyamino)-1,1-dimethyl-3-oxo-propyl]sulfanylacetic acid CAS Name: 2-[[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(hydroxyamino)-2-methyl-4-oxobutan-2-yl]thio]acetic acid IUPAC Name: 2-[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(hydroxyamino)-2-methyl-4-oxobutan-2-yl]sulfanylacetic acid Traditional Name: 2-[[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(hydroxyamino)-3-keto-1,1-dimethyl-propyl]thio]acetic acid Formula: C17H22N2O7S2 MolecularWeight: 430.49578

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)NO)C(C)(C)SCC(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)NO)C(C)(C)SCC(=O)O

InChI

InChI=1S/C17H22N2O7S2/c1-4-5-10-26-12-6-8-13(9-7-12)28(24,25)19-15(16(22)18-23)17(2,3)27-11-14(20)21/h6-9,15,19,23H,10-11H2,1-3H3,(H,18,22)(H,20,21)