[methyl-[oxidanyl(phenyl)methyl]amino] 4-nitrobenzenesulfonate

Systemtic Name: [methyl-[oxidanyl(phenyl)methyl]amino] 4-nitrobenzenesulfonate Openeye Name: [[hydroxy(phenyl)methyl]-methyl-amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [[hydroxy(phenyl)methyl]-methylamino] ester IUPAC Name: [[hydroxy(phenyl)methyl]-methylamino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [[hydroxy(phenyl)methyl]-methyl-amino] ester Formula: C14H14N2O6S MolecularWeight: 338.33576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1=CC=CC=C1)O)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C(C1=CC=CC=C1)O)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6S/c1-15(14(17)11-5-3-2-4-6-11)22-23(20,21)13-9-7-12(8-10-13)16(18)19/h2-10,14,17H,1H3