4-[[(3-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[(3-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide Openeye Name: 4-[[(3-bromophenyl)methyl-(p-tolylsulfonyl)amino]methyl]-N-oxido-cyclohexanecarboxamide CAS Name: 4-[[(3-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-N-oxido-1-cyclohexanecarboxamide IUPAC Name: 4-[[(3-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-N-oxidocyclohexane-1-carboxamide Traditional Name: 4-[[(3-bromobenzyl)-tosyl-amino]methyl]-N-oxido-cyclohexanecarboxamide Formula: C22H26BrN2O4S- MolecularWeight: 494.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)N[O-])CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)N[O-])CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H26BrN2O4S/c1-16-5-11-21(12-6-16)30(28,29)25(15-18-3-2-4-20(23)13-18)14-17-7-9-19(10-8-17)22(26)24-27/h2-6,11-13,17,19H,7-10,14-15H2,1H3,(H-,24,26,27)/q-1