[4-bromanyl-2-[[(2-methoxy-2-oxidanylidene-ethyl)azaniumyl]-phenyl-methyl]phenyl]-(phenylsulfonyl)azanide

Systemtic Name: [4-bromanyl-2-[[(2-methoxy-2-oxidanylidene-ethyl)azaniumyl]-phenyl-methyl]phenyl]-(phenylsulfonyl)azanide Openeye Name: benzenesulfonyl-[4-bromo-2-[[(2-methoxy-2-oxo-ethyl)ammonio]-phenyl-methyl]phenyl]azanide CAS Name: benzenesulfonyl-[4-bromo-2-[[(2-methoxy-2-oxoethyl)ammonio]-phenylmethyl]phenyl]azanide IUPAC Name: benzenesulfonyl-[4-bromo-2-[[(2-methoxy-2-oxoethyl)azaniumyl]-phenylmethyl]phenyl]azanide Traditional Name: besyl-[4-bromo-2-[[(2-keto-2-methoxy-ethyl)ammonio]-phenyl-methyl]phenyl]azanide Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH2+]C(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)[N-]S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C[NH2+]C(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)[N-]S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20BrN2O4S/c1-29-21(26)15-24-22(16-8-4-2-5-9-16)19-14-17(23)12-13-20(19)25-30(27,28)18-10-6-3-7-11-18/h2-14,22,24H,15H2,1H3/q-1/p+1