N-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-aniline

Systemtic Name: N-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-aniline Openeye Name: N-methyl-2,4-dinitro-3-(p-tolylsulfonylmethyl)aniline CAS Name: N-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitroaniline IUPAC Name: N-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitroaniline Traditional Name: [2,4-dinitro-3-(tosylmethyl)phenyl]-methyl-amine Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6S/c1-10-3-5-11(6-4-10)25(23,24)9-12-14(17(19)20)8-7-13(16-2)15(12)18(21)22/h3-8,16H,9H2,1-2H3