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

Systemtic Name: 4-[[(3-bromophenyl)methyl-(4-tert-butylphenyl)sulfonyl-amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide Openeye Name: 4-[[(3-bromophenyl)methyl-(4-tert-butylphenyl)sulfonyl-amino]methyl]-N-oxido-cyclohexanecarboxamide CAS Name: 4-[[(3-bromophenyl)methyl-(4-tert-butylphenyl)sulfonylamino]methyl]-N-oxido-1-cyclohexanecarboxamide IUPAC Name: 4-[[(3-bromophenyl)methyl-(4-tert-butylphenyl)sulfonylamino]methyl]-N-oxidocyclohexane-1-carboxamide Traditional Name: 4-[[(3-bromobenzyl)-(4-tert-butylphenyl)sulfonyl-amino]methyl]-N-oxido-cyclohexanecarboxamide Formula: C25H32BrN2O4S- MolecularWeight: 536.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrN2O4S/c1-25(2,3)21-11-13-23(14-12-21)33(31,32)28(17-19-5-4-6-22(26)15-19)16-18-7-9-20(10-8-18)24(29)27-30/h4-6,11-15,18,20H,7-10,16-17H2,1-3H3,(H-,27,29,30)/q-1