[4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonyl-pyridin-3-ylcarbonyl-amino]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonyl-pyridin-3-ylcarbonyl-amino]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonyl-(pyridine-3-carbonyl)amino]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonyl-[oxo(3-pyridinyl)methyl]amino]phenyl] ester IUPAC Name: [4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonyl-(pyridine-3-carbonyl)amino]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonyl-nicotinoyl-amino]phenyl] ester Formula: C30H29N3O5S MolecularWeight: 543.63336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)C(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)C(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C30H29N3O5S/c1-20-16-24(30(3,4)5)17-27(21(20)2)39(36,37)33(28(34)22-8-6-14-31-18-22)25-10-12-26(13-11-25)38-29(35)23-9-7-15-32-19-23/h6-19H,1-5H3