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

Systemtic Name: methyl 5-[(4-bromophenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C24H24BrNO6S MolecularWeight: 534.41946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C24H24BrNO6S/c1-15-22(24(28)31-2)20-14-18(10-13-21(20)32-15)26(23(27)16-6-4-3-5-7-16)33(29,30)19-11-8-17(25)9-12-19/h8-14,16H,3-7H2,1-2H3