N4,N4-dimethyl-2-nitro-N1-[(1-phenylcyclohexyl)methyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-dimethyl-2-nitro-N1-[(1-phenylcyclohexyl)methyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-dimethyl-2-nitro-N1-[(1-phenylcyclohexyl)methyl]benzene-1,4-disulfonamide CAS Name: N4,N4-dimethyl-2-nitro-N1-[(1-phenylcyclohexyl)methyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-dimethyl-2-nitro-1-N-[(1-phenylcyclohexyl)methyl]benzene-1,4-disulfonamide Traditional Name: N',N'-dimethyl-2-nitro-N-[(1-phenylcyclohexyl)methyl]benzene-1,4-disulfonamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2(CCCCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2(CCCCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S2/c1-23(2)32(29,30)18-11-12-20(19(15-18)24(25)26)31(27,28)22-16-21(13-7-4-8-14-21)17-9-5-3-6-10-17/h3,5-6,9-12,15,22H,4,7-8,13-14,16H2,1-2H3