methyl (3R)-3-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-4-(oxidanylamino)-4-oxidanylidene-butanoate

Systemtic Name: methyl (3R)-3-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-4-(oxidanylamino)-4-oxidanylidene-butanoate Openeye Name: methyl (3R)-3-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-4-(hydroxyamino)-4-oxo-butanoate CAS Name: (3R)-3-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-4-(hydroxyamino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3R)-3-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-4-(hydroxyamino)-4-oxobutanoate Traditional Name: (3R)-4-(hydroxyamino)-4-keto-3-[(4-methoxyphenyl)sulfonyl-piperonyl-amino]butyric acid methyl ester Formula: C20H22N2O9S MolecularWeight: 466.46168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CC(=O)OC)C(=O)NO

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)[C@H](CC(=O)OC)C(=O)NO

InChI

InChI=1S/C20H22N2O9S/c1-28-14-4-6-15(7-5-14)32(26,27)22(16(20(24)21-25)10-19(23)29-2)11-13-3-8-17-18(9-13)31-12-30-17/h3-9,16,25H,10-12H2,1-2H3,(H,21,24)/t16-/m1/s1