sodium (2R)-3-(benzotriazol-1-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: sodium (2R)-3-(benzotriazol-1-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propane-1-sulfonate Openeye Name: sodium (2R)-3-(benzotriazol-1-yloxy)-2-(tert-butoxycarbonylamino)-3-oxo-propane-1-sulfonate CAS Name: sodium (2R)-3-(1-benzotriazolyloxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-1-propanesulfonate IUPAC Name: sodium (2R)-3-(benzotriazol-1-yloxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropane-1-sulfonate Traditional Name: sodium (2R)-3-(benzotriazol-1-yloxy)-2-(tert-butoxycarbonylamino)-3-keto-propane-1-sulfonate Formula: C14H17N4NaO7S MolecularWeight: 408.36215

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS(=O)(=O)[O-])C(=O)ON1C2=CC=CC=C2N=N1.[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)ON1C2=CC=CC=C2N=N1.[Na+]

InChI

InChI=1S/C14H18N4O7S.Na/c1-14(2,3)24-13(20)15-10(8-26(21,22)23)12(19)25-18-11-7-5-4-6-9(11)16-17-18;/h4-7,10H,8H2,1-3H3,(H,15,20)(H,21,22,23);/q;+1/p-1/t10-;/m0./s1