azanium N-[4-[2-ethoxycarbonyl-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]sulfamate

Systemtic Name: azanium N-[4-[2-ethoxycarbonyl-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[2-(tert-butoxycarbonylamino)-2-ethoxycarbonyl-3-methoxy-3-oxo-propyl]phenyl]sulfamate CAS Name: ammonium N-[4-[2-ethoxycarbonyl-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[2-ethoxycarbonyl-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]sulfamate Traditional Name: ammonium N-[4-[2-(tert-butoxycarbonylamino)-2-carbethoxy-3-keto-3-methoxy-propyl]phenyl]sulfamate Formula: C18H29N3O9S MolecularWeight: 463.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)[O-])(C(=O)OC)NC(=O)OC(C)(C)C.[NH4+]

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)[O-])(C(=O)OC)NC(=O)OC(C)(C)C.[NH4+]

InChI

InChI=1S/C18H26N2O9S.H3N/c1-6-28-15(22)18(14(21)27-5,19-16(23)29-17(2,3)4)11-12-7-9-13(10-8-12)20-30(24,25)26;/h7-10,20H,6,11H2,1-5H3,(H,19,23)(H,24,25,26);1H3