3-(methylsulfanylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(methylsulfanylmethyl)-N-(4-morpholinosulfonylphenyl)benzofuran-2-carboxamide CAS Name: 3-[(methylthio)methyl]-N-[4-(4-morpholinylsulfonyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-(methylsulfanylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(methylthio)methyl]-N-(4-morpholinosulfonylphenyl)coumarilamide Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N2O5S2/c1-29-14-18-17-4-2-3-5-19(17)28-20(18)21(24)22-15-6-8-16(9-7-15)30(25,26)23-10-12-27-13-11-23/h2-9H,10-14H2,1H3,(H,22,24)