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

Systemtic Name: N1-cyclopropyl-N4,N4-dimethyl-N1-[(4-methylphenyl)methyl]-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-cyclopropyl-N4,N4-dimethyl-2-nitro-N1-(p-tolylmethyl)benzene-1,4-disulfonamide CAS Name: N1-cyclopropyl-N4,N4-dimethyl-N1-[(4-methylphenyl)methyl]-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-cyclopropyl-4-N,4-N-dimethyl-1-N-[(4-methylphenyl)methyl]-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-cyclopropyl-N',N'-dimethyl-N-(4-methylbenzyl)-2-nitro-benzene-1,4-disulfonamide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2CC2)S(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2CC2)S(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S2/c1-14-4-6-15(7-5-14)13-21(16-8-9-16)30(27,28)19-11-10-17(12-18(19)22(23)24)29(25,26)20(2)3/h4-7,10-12,16H,8-9,13H2,1-3H3