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

Systemtic Name: azanium N-[4-[2,2-bis(methoxycarbonyl)-5-methylsulfonyl-pentyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[2,2-bis(methoxycarbonyl)-5-methylsulfonyl-pentyl]phenyl]sulfamate CAS Name: ammonium N-[4-[2,2-bis(methoxycarbonyl)-5-methylsulfonylpentyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[2,2-bis(methoxycarbonyl)-5-methylsulfonylpentyl]phenyl]sulfamate Traditional Name: ammonium N-[4-(2,2-dicarbomethoxy-5-mesyl-pentyl)phenyl]sulfamate Formula: C16H26N2O9S2 MolecularWeight: 454.51564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO9S2.H3N/c1-25-14(18)16(15(19)26-2,9-4-10-27(3,20)21)11-12-5-7-13(8-6-12)17-28(22,23)24;/h5-8,17H,4,9-11H2,1-3H3,(H,22,23,24);1H3