4-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]azaniumyl]-4-oxidanylidene-butane-1-sulfonate

Systemtic Name: 4-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]azaniumyl]-4-oxidanylidene-butane-1-sulfonate Openeye Name: 2-[(2-tert-butoxy-2-oxo-ethyl)ammonio]-4-[(2-methoxy-2-oxo-ethyl)amino]-4-oxo-butane-1-sulfonate CAS Name: 4-[(2-methoxy-2-oxoethyl)amino]-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]ammonio]-4-oxo-1-butanesulfonate IUPAC Name: 4-[(2-methoxy-2-oxoethyl)amino]-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azaniumyl]-4-oxobutane-1-sulfonate Traditional Name: 2-[(2-tert-butoxy-2-keto-ethyl)ammonio]-4-keto-4-[(2-keto-2-methoxy-ethyl)amino]butane-1-sulfonate Formula: C13H24N2O8S MolecularWeight: 368.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[NH2+]C(CC(=O)NCC(=O)OC)CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C[NH2+]C(CC(=O)NCC(=O)OC)CS(=O)(=O)[O-]

InChI

InChI=1S/C13H24N2O8S/c1-13(2,3)23-12(18)7-14-9(8-24(19,20)21)5-10(16)15-6-11(17)22-4/h9,14H,5-8H2,1-4H3,(H,15,16)(H,19,20,21)