N-(2-methoxyphenyl)-4-[[4-[(2-methoxyphenyl)amino]-3-nitro-phenyl]sulfonylmethylsulfonyl]-2-nitro-aniline

Systemtic Name: N-(2-methoxyphenyl)-4-[[4-[(2-methoxyphenyl)amino]-3-nitro-phenyl]sulfonylmethylsulfonyl]-2-nitro-aniline Openeye Name: 4-[[4-(2-methoxyanilino)-3-nitro-phenyl]sulfonylmethylsulfonyl]-N-(2-methoxyphenyl)-2-nitro-aniline CAS Name: 4-[[4-(2-methoxyanilino)-3-nitrophenyl]sulfonylmethylsulfonyl]-N-(2-methoxyphenyl)-2-nitroaniline IUPAC Name: 4-[[4-(2-methoxyanilino)-3-nitrophenyl]sulfonylmethylsulfonyl]-N-(2-methoxyphenyl)-2-nitroaniline Traditional Name: (2-methoxyphenyl)-[2-nitro-4-[[3-nitro-4-(o-anisidino)phenyl]sulfonylmethylsulfonyl]phenyl]amine Formula: C27H24N4O10S2 MolecularWeight: 628.63026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CS(=O)(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CS(=O)(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O10S2/c1-40-26-9-5-3-7-22(26)28-20-13-11-18(15-24(20)30(32)33)42(36,37)17-43(38,39)19-12-14-21(25(16-19)31(34)35)29-23-8-4-6-10-27(23)41-2/h3-16,28-29H,17H2,1-2H3