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

Systemtic Name: methyl (4R)-4-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-5-(oxidanylamino)-5-oxidanylidene-pentanoate Openeye Name: methyl (4R)-4-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-5-(hydroxyamino)-5-oxo-pentanoate CAS Name: (4R)-4-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentanoate Traditional Name: (4R)-5-(hydroxyamino)-5-keto-4-[(4-methoxyphenyl)sulfonyl-piperonyl-amino]valeric acid methyl ester Formula: C21H24N2O9S MolecularWeight: 480.48826

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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(CCC(=O)OC)C(=O)NO

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O9S/c1-29-15-4-6-16(7-5-15)33(27,28)23(17(21(25)22-26)8-10-20(24)30-2)12-14-3-9-18-19(11-14)32-13-31-18/h3-7,9,11,17,26H,8,10,12-13H2,1-2H3,(H,22,25)/t17-/m1/s1