N-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-N-phenyl-aniline

Systemtic Name: N-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-N-phenyl-aniline Openeye Name: N-methyl-2,4-dinitro-N-phenyl-5-(p-tolylsulfonylmethyl)aniline CAS Name: N-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-N-phenylaniline IUPAC Name: N-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-N-phenylaniline Traditional Name: [2,4-dinitro-5-(tosylmethyl)phenyl]-methyl-phenyl-amine Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(C)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O6S/c1-15-8-10-18(11-9-15)31(29,30)14-16-12-20(22(2)17-6-4-3-5-7-17)21(24(27)28)13-19(16)23(25)26/h3-13H,14H2,1-2H3