2-[(4-bromophenyl)sulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-oxidanidyl-ethanamide

Systemtic Name: 2-[(4-bromophenyl)sulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-oxidanidyl-ethanamide Openeye Name: 2-[(4-bromophenyl)sulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-oxido-acetamide CAS Name: 2-[(4-bromophenyl)sulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-oxidoacetamide IUPAC Name: 2-[(4-bromophenyl)sulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-oxidoacetamide Traditional Name: 2-[brosyl(veratryl)amino]-N-oxido-acetamide Formula: C17H18BrN2O6S- MolecularWeight: 458.30362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC(=O)N[O-])S(=O)(=O)C2=CC=C(C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC(=O)N[O-])S(=O)(=O)C2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C17H18BrN2O6S/c1-25-15-8-3-12(9-16(15)26-2)10-20(11-17(21)19-22)27(23,24)14-6-4-13(18)5-7-14/h3-9H,10-11H2,1-2H3,(H-,19,21,22)/q-1