ethyl 5-[(4-bromophenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(4-bromophenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-bromophenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[cyclohexyl(oxo)methyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromophenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H26BrNO6S MolecularWeight: 548.44604

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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=C(C=C4)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrNO6S/c1-3-32-25(29)23-16(2)33-22-14-11-19(15-21(22)23)27(24(28)17-7-5-4-6-8-17)34(30,31)20-12-9-18(26)10-13-20/h9-15,17H,3-8H2,1-2H3