[4-[(2-chloranyl-5-nitro-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]naphthalen-1-yl] pyridine-4-carboxylate

Systemtic Name: [4-[(2-chloranyl-5-nitro-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]naphthalen-1-yl] pyridine-4-carboxylate Openeye Name: [4-[(2-chloro-5-nitro-phenyl)sulfonyl-(pyridine-4-carbonyl)amino]-1-naphthyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(2-chloro-5-nitrophenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(2-chloro-5-nitrophenyl)sulfonyl-(pyridine-4-carbonyl)amino]naphthalen-1-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(2-chloro-5-nitro-phenyl)sulfonyl-isonicotinoyl-amino]-1-naphthyl] ester Formula: C28H17ClN4O7S MolecularWeight: 588.97518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2OC(=O)C3=CC=NC=C3)N(C(=O)C4=CC=NC=C4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2OC(=O)C3=CC=NC=C3)N(C(=O)C4=CC=NC=C4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H17ClN4O7S/c29-23-6-5-20(33(36)37)17-26(23)41(38,39)32(27(34)18-9-13-30-14-10-18)24-7-8-25(22-4-2-1-3-21(22)24)40-28(35)19-11-15-31-16-12-19/h1-17H