4-[[(4-bromophenyl)sulfonyl-(phenylmethyl)amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[(4-bromophenyl)sulfonyl-(phenylmethyl)amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide Openeye Name: 4-[[benzyl-(4-bromophenyl)sulfonyl-amino]methyl]-N-oxido-cyclohexanecarboxamide CAS Name: 4-[[(4-bromophenyl)sulfonyl-(phenylmethyl)amino]methyl]-N-oxido-1-cyclohexanecarboxamide IUPAC Name: 4-[[benzyl-(4-bromophenyl)sulfonylamino]methyl]-N-oxidocyclohexane-1-carboxamide Traditional Name: 4-[[benzyl(brosyl)amino]methyl]-N-oxido-cyclohexanecarboxamide Formula: C21H24BrN2O4S- MolecularWeight: 480.39526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN2O4S/c22-19-10-12-20(13-11-19)29(27,28)24(14-16-4-2-1-3-5-16)15-17-6-8-18(9-7-17)21(25)23-26/h1-5,10-13,17-18H,6-9,14-15H2,(H-,23,25,26)/q-1