[4-[(4-methylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]naphthalen-1-yl] pyridine-4-carboxylate

Systemtic Name: [4-[(4-methylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]naphthalen-1-yl] pyridine-4-carboxylate Openeye Name: [4-[p-tolylsulfonyl(pyridine-4-carbonyl)amino]-1-naphthyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(4-methylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-methylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]naphthalen-1-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[isonicotinoyl(tosyl)amino]-1-naphthyl] ester Formula: C29H21N3O5S MolecularWeight: 523.55914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3O5S/c1-20-6-8-23(9-7-20)38(35,36)32(28(33)21-12-16-30-17-13-21)26-10-11-27(25-5-3-2-4-24(25)26)37-29(34)22-14-18-31-19-15-22/h2-19H,1H3