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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(4-dimethylaminophenyl)methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(4-dimethylaminophenyl)methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [4-[(4-mesyl-2-nitro-anilino)methyl]phenyl]-dimethyl-amine Formula: C16H19N3O4S MolecularWeight: 349.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-18(2)13-6-4-12(5-7-13)11-17-15-9-8-14(24(3,22)23)10-16(15)19(20)21/h4-10,17H,11H2,1-3H3