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

Systemtic Name: 4-[[(4-aminophenyl)sulfonyl-[(3-bromophenyl)methyl]amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide Openeye Name: 4-[[(4-aminophenyl)sulfonyl-[(3-bromophenyl)methyl]amino]methyl]-N-oxido-cyclohexanecarboxamide CAS Name: 4-[[(4-aminophenyl)sulfonyl-[(3-bromophenyl)methyl]amino]methyl]-N-oxido-1-cyclohexanecarboxamide IUPAC Name: 4-[[(4-aminophenyl)sulfonyl-[(3-bromophenyl)methyl]amino]methyl]-N-oxidocyclohexane-1-carboxamide Traditional Name: 4-[[(3-bromobenzyl)-sulfanilyl-amino]methyl]-N-oxido-cyclohexanecarboxamide Formula: C21H25BrN3O4S- MolecularWeight: 495.4099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN3O4S/c22-18-3-1-2-16(12-18)14-25(30(28,29)20-10-8-19(23)9-11-20)13-15-4-6-17(7-5-15)21(26)24-27/h1-3,8-12,15,17H,4-7,13-14,23H2,(H-,24,26,27)/q-1