ethyl 5-[(4-tert-butylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-pyridin-4-ylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonyl-[oxo(pyridin-4-yl)methyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-(pyridine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonyl-isonicotinoyl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C28H28N2O6S/c1-6-35-27(32)25-18(2)36-24-12-9-21(17-23(24)25)30(26(31)19-13-15-29-16-14-19)37(33,34)22-10-7-20(8-11-22)28(3,4)5/h7-17H,6H2,1-5H3