N-methylsulfonyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate; trimethyl-(phenylmethyl)azanium

Systemtic Name: N-methylsulfonyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; N-methylsulfonyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate CAS Name: N-methylsulfonyl-N-(4-nitro-2-phenoxyphenyl)sulfamate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; N-methylsulfonyl-N-(4-nitro-2-phenoxyphenyl)sulfamate Traditional Name: benzyl(trimethyl)ammonium; N-mesyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate Formula: C23H27N3O8S2 MolecularWeight: 537.60578

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.CS(=O)(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.CS(=O)(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12N2O8S2.C10H16N/c1-24(18,19)15(25(20,21)22)12-8-7-10(14(16)17)9-13(12)23-11-5-3-2-4-6-11;1-11(2,3)9-10-7-5-4-6-8-10/h2-9H,1H3,(H,20,21,22);4-8H,9H2,1-3H3/q;+1/p-1