azanium N-[4-[2-ethoxycarbonyl-2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]sulfamate

Systemtic Name: azanium N-[4-[2-ethoxycarbonyl-2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[4-(tert-butoxycarbonylamino)-2-ethoxycarbonyl-2-methoxycarbonyl-butyl]phenyl]sulfamate CAS Name: ammonium N-[4-[2-ethoxycarbonyl-2-methoxycarbonyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[2-ethoxycarbonyl-2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]sulfamate Traditional Name: ammonium N-[4-[4-(tert-butoxycarbonylamino)-2-carbethoxy-2-carbomethoxy-butyl]phenyl]sulfamate Formula: C20H33N3O9S MolecularWeight: 491.55572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O9S.H3N/c1-6-30-17(24)20(16(23)29-5,11-12-21-18(25)31-19(2,3)4)13-14-7-9-15(10-8-14)22-32(26,27)28;/h7-10,22H,6,11-13H2,1-5H3,(H,21,25)(H,26,27,28);1H3