methylbenzene; N-methyl-N'-(4-methylphenyl)-N-(4-nitrophenyl)sulfonyl-benzenecarboximidamide

Systemtic Name: methylbenzene; N-methyl-N'-(4-methylphenyl)-N-(4-nitrophenyl)sulfonyl-benzenecarboximidamide Openeye Name: N-methyl-N-(4-nitrophenyl)sulfonyl-N'-(p-tolyl)benzamidine; toluene CAS Name: N-methyl-N'-(4-methylphenyl)-N-(4-nitrophenyl)sulfonylbenzenecarboximidamide; toluene IUPAC Name: N-methyl-N'-(4-methylphenyl)-N-(4-nitrophenyl)sulfonylbenzenecarboximidamide; toluene Traditional Name: N-methyl-N-nosyl-N'-(p-tolyl)benzamidine; toluene Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=C(C=C1)N=C(C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=C(C=C1)N=C(C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S.C7H8/c1-16-8-10-18(11-9-16)22-21(17-6-4-3-5-7-17)23(2)29(27,28)20-14-12-19(13-15-20)24(25)26;1-7-5-3-2-4-6-7/h3-15H,1-2H3;2-6H,1H3