azanium N-[4-[2,2-bis(methoxycarbonyl)-5-phenyl-pentyl]phenyl]sulfamate

Systemtic Name: azanium N-[4-[2,2-bis(methoxycarbonyl)-5-phenyl-pentyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[2,2-bis(methoxycarbonyl)-5-phenyl-pentyl]phenyl]sulfamate CAS Name: ammonium N-[4-[2,2-bis(methoxycarbonyl)-5-phenylpentyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[2,2-bis(methoxycarbonyl)-5-phenylpentyl]phenyl]sulfamate Traditional Name: ammonium N-[4-(2,2-dicarbomethoxy-5-phenyl-pentyl)phenyl]sulfamate Formula: C21H28N2O7S MolecularWeight: 452.52122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC1=CC=CC=C1)(CC2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)OC.[NH4+]

Isomeric SMILES

COC(=O)C(CCCC1=CC=CC=C1)(CC2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)OC.[NH4+]

InChI

InChI=1S/C21H25NO7S.H3N/c1-28-19(23)21(20(24)29-2,14-6-9-16-7-4-3-5-8-16)15-17-10-12-18(13-11-17)22-30(25,26)27;/h3-5,7-8,10-13,22H,6,9,14-15H2,1-2H3,(H,25,26,27);1H3