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

Systemtic Name: N-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-methyl-4-methylsulfonyl-2-nitro-N-(p-tolylmethyl)aniline CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-methyl-(4-methylbenzyl)amine Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-12-4-6-13(7-5-12)11-17(2)15-9-8-14(23(3,21)22)10-16(15)18(19)20/h4-10H,11H2,1-3H3