[4-[(2-methyl-5-nitro-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(2-methyl-5-nitro-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(2-methyl-5-nitro-phenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(2-methyl-5-nitrophenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]phenyl] ester IUPAC Name: [4-[(2-methyl-5-nitrophenyl)sulfonyl-(pyridine-4-carbonyl)amino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[isonicotinoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl] ester Formula: C25H18N4O7S MolecularWeight: 518.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N4O7S/c1-17-2-3-21(29(32)33)16-23(17)37(34,35)28(24(30)18-8-12-26-13-9-18)20-4-6-22(7-5-20)36-25(31)19-10-14-27-15-11-19/h2-16H,1H3