4-methyl-N-[4-[(4-methylphenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]phenyl]-N-(3-nitrophenyl)sulfonyl-benzamide

Systemtic Name: 4-methyl-N-[4-[(4-methylphenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]phenyl]-N-(3-nitrophenyl)sulfonyl-benzamide Openeye Name: 4-methyl-N-[4-[(4-methylbenzoyl)-(3-nitrophenyl)sulfonyl-amino]phenyl]-N-(3-nitrophenyl)sulfonyl-benzamide CAS Name: 4-methyl-N-[4-[[(4-methylphenyl)-oxomethyl]-(3-nitrophenyl)sulfonylamino]phenyl]-N-(3-nitrophenyl)sulfonylbenzamide IUPAC Name: 4-methyl-N-[4-[(4-methylbenzoyl)-(3-nitrophenyl)sulfonylamino]phenyl]-N-(3-nitrophenyl)sulfonylbenzamide Traditional Name: 4-methyl-N-(3-nitrophenyl)sulfonyl-N-[4-[(3-nitrophenyl)sulfonyl-p-toluoyl-amino]phenyl]benzamide Formula: C34H26N4O10S2 MolecularWeight: 714.72104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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