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

Systemtic Name: [[(4-bromophenyl)-oxidanyl-methyl]-methyl-amino] 4-nitrobenzenesulfonate Openeye Name: [[(4-bromophenyl)-hydroxy-methyl]-methyl-amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [[(4-bromophenyl)-hydroxymethyl]-methylamino] ester IUPAC Name: [[(4-bromophenyl)-hydroxymethyl]-methylamino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [[(4-bromophenyl)-hydroxy-methyl]-methyl-amino] ester Formula: C14H13BrN2O6S MolecularWeight: 417.23182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O6S/c1-16(14(18)10-2-4-11(15)5-3-10)23-24(21,22)13-8-6-12(7-9-13)17(19)20/h2-9,14,18H,1H3