N1-(4-methoxyphenyl)-N4-(4-methylsulfonyl-2-nitro-phenyl)benzene-1,4-diamine

Systemtic Name: N1-(4-methoxyphenyl)-N4-(4-methylsulfonyl-2-nitro-phenyl)benzene-1,4-diamine Openeye Name: N1-(4-methoxyphenyl)-N4-(4-methylsulfonyl-2-nitro-phenyl)benzene-1,4-diamine CAS Name: N1-(4-methoxyphenyl)-N4-(4-methylsulfonyl-2-nitrophenyl)benzene-1,4-diamine IUPAC Name: 1-N-(4-methoxyphenyl)-4-N-(4-methylsulfonyl-2-nitrophenyl)benzene-1,4-diamine Traditional Name: [4-(4-mesyl-2-nitro-anilino)phenyl]-(4-methoxyphenyl)amine Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-28-17-9-7-15(8-10-17)21-14-3-5-16(6-4-14)22-19-12-11-18(29(2,26)27)13-20(19)23(24)25/h3-13,21-22H,1-2H3