[4-[(4-chloranyl-3-methyl-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]naphthalen-1-yl] pyridine-4-carboxylate

Systemtic Name: [4-[(4-chloranyl-3-methyl-phenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]naphthalen-1-yl] pyridine-4-carboxylate Openeye Name: [4-[(4-chloro-3-methyl-phenyl)sulfonyl-(pyridine-4-carbonyl)amino]-1-naphthyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(4-chloro-3-methylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-chloro-3-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]naphthalen-1-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(4-chloro-3-methyl-phenyl)sulfonyl-isonicotinoyl-amino]-1-naphthyl] ester Formula: C29H20ClN3O5S MolecularWeight: 558.0042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=NC=C4)C(=O)C5=CC=NC=C5)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=NC=C4)C(=O)C5=CC=NC=C5)Cl

InChI

InChI=1S/C29H20ClN3O5S/c1-19-18-22(6-7-25(19)30)39(36,37)33(28(34)20-10-14-31-15-11-20)26-8-9-27(24-5-3-2-4-23(24)26)38-29(35)21-12-16-32-17-13-21/h2-18H,1H3