ethyl 5-[cyclohexylcarbonyl(phenylsulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[cyclohexylcarbonyl(phenylsulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[benzenesulfonyl(cyclohexanecarbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[benzenesulfonyl-[cyclohexyl(oxo)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[benzenesulfonyl(cyclohexanecarbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[besyl(cyclohexanecarbonyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C30H29NO6S MolecularWeight: 531.61936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H29NO6S/c1-2-36-30(33)27-25-20-23(18-19-26(25)37-28(27)21-12-6-3-7-13-21)31(29(32)22-14-8-4-9-15-22)38(34,35)24-16-10-5-11-17-24/h3,5-7,10-13,16-20,22H,2,4,8-9,14-15H2,1H3