2-[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-2-methyl-4-(oxidanylamino)-4-oxidanylidene-butan-2-yl]sulfanyl-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-2-methyl-4-(oxidanylamino)-4-oxidanylidene-butan-2-yl]sulfanyl-3,3-dimethyl-butanoic acid Openeye Name: 2-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(hydroxyamino)-1,1-dimethyl-3-oxo-propyl]sulfanyl-3,3-dimethyl-butanoic acid CAS Name: 2-[[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(hydroxyamino)-2-methyl-4-oxobutan-2-yl]thio]-3,3-dimethylbutanoic acid IUPAC Name: 2-[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(hydroxyamino)-2-methyl-4-oxobutan-2-yl]sulfanyl-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(hydroxyamino)-3-keto-1,1-dimethyl-propyl]thio]-3,3-dimethyl-butyric acid Formula: C21H30N2O7S2 MolecularWeight: 486.6021

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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)SC(C(=O)O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O7S2/c1-7-8-13-30-14-9-11-15(12-10-14)32(28,29)23-16(18(24)22-27)21(5,6)31-17(19(25)26)20(2,3)4/h9-12,16-17,23,27H,13H2,1-6H3,(H,22,24)(H,25,26)