N,N-dimethyl-4-[(4-methylphenyl)sulfonyl-phenyl-methyl]-2-nitro-aniline

Systemtic Name: N,N-dimethyl-4-[(4-methylphenyl)sulfonyl-phenyl-methyl]-2-nitro-aniline Openeye Name: N,N-dimethyl-2-nitro-4-[phenyl(p-tolylsulfonyl)methyl]aniline CAS Name: N,N-dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]-2-nitroaniline IUPAC Name: N,N-dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]-2-nitroaniline Traditional Name: dimethyl-[2-nitro-4-[phenyl(tosyl)methyl]phenyl]amine Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-16-9-12-19(13-10-16)29(27,28)22(17-7-5-4-6-8-17)18-11-14-20(23(2)3)21(15-18)24(25)26/h4-15,22H,1-3H3