4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide Openeye Name: 4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-oxido-cyclohexanecarboxamide CAS Name: 4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-oxido-1-cyclohexanecarboxamide IUPAC Name: 4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-oxidocyclohexane-1-carboxamide Traditional Name: 4-[[(3-bromobenzyl)-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-oxido-cyclohexanecarboxamide Formula: C23H26BrN2O6S- MolecularWeight: 538.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN(CC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C(=O)N[O-]

Isomeric SMILES

C1CC(CCC1CN(CC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C(=O)N[O-]

InChI

InChI=1S/C23H26BrN2O6S/c24-19-3-1-2-17(12-19)15-26(14-16-4-6-18(7-5-16)23(27)25-28)33(29,30)20-8-9-21-22(13-20)32-11-10-31-21/h1-3,8-9,12-13,16,18H,4-7,10-11,14-15H2,(H-,25,27,28)/q-1