N-(4-methylphenyl)sulfonyl-N-[4-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl]-4-nitro-benzamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-N-[4-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[4-[(4-nitrobenzoyl)-(p-tolylsulfonyl)amino]phenyl]-N-(p-tolylsulfonyl)benzamide CAS Name: N-(4-methylphenyl)sulfonyl-N-[4-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]phenyl]-4-nitrobenzamide IUPAC Name: N-(4-methylphenyl)sulfonyl-N-[4-[(4-methylphenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[4-[(4-nitrobenzoyl)-tosyl-amino]phenyl]-N-tosyl-benzamide Formula: C34H26N4O10S2 MolecularWeight: 714.72104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H26N4O10S2/c1-23-3-19-31(20-4-23)49(45,46)35(33(39)25-7-11-29(12-8-25)37(41)42)27-15-17-28(18-16-27)36(50(47,48)32-21-5-24(2)6-22-32)34(40)26-9-13-30(14-10-26)38(43)44/h3-22H,1-2H3