N-[(2-methylphenyl)methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2-methylphenyl)methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-(o-tolylmethyl)aniline CAS Name: N-[(2-methylphenyl)methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(2-methylphenyl)methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(2-methylbenzyl)amine Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O4S/c1-11-5-3-4-6-12(11)10-16-14-8-7-13(22(2,20)21)9-15(14)17(18)19/h3-9,16H,10H2,1-2H3