4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-oxidanidyl-benzamide

Systemtic Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-oxidanidyl-benzamide Openeye Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-oxido-benzamide CAS Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-oxidobenzamide IUPAC Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-oxidobenzamide Traditional Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(veratryl)amino]methyl]-N-oxido-benzamide Formula: C25H25N2O8S- MolecularWeight: 513.5396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)N[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)N[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC

InChI

InChI=1S/C25H25N2O8S/c1-32-21-9-5-18(13-23(21)33-2)16-27(15-17-3-6-19(7-4-17)25(28)26-29)36(30,31)20-8-10-22-24(14-20)35-12-11-34-22/h3-10,13-14H,11-12,15-16H2,1-2H3,(H-,26,28,29)/q-1