tert-butyl 2-[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-2-methyl-4-(oxidanylamino)-4-oxidanylidene-butan-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-2-methyl-4-(oxidanylamino)-4-oxidanylidene-butan-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(hydroxyamino)-1,1-dimethyl-3-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(hydroxyamino)-2-methyl-4-oxobutan-2-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(hydroxyamino)-2-methyl-4-oxobutan-2-yl]sulfanylacetate Traditional Name: 2-[[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(hydroxyamino)-3-keto-1,1-dimethyl-propyl]thio]acetic acid tert-butyl ester 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)SCC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

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