3-(cyclohexylsulfanylmethyl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)coumarilamide Formula: C27H32N2O6S2 MolecularWeight: 544.68278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

InChI

InChI=1S/C27H32N2O6S2/c1-33-25-12-11-20(37(31,32)29-13-15-34-16-14-29)17-23(25)28-27(30)26-22(18-36-19-7-3-2-4-8-19)21-9-5-6-10-24(21)35-26/h5-6,9-12,17,19H,2-4,7-8,13-16,18H2,1H3,(H,28,30)