N-[(2S)-1-[(4-methoxy-3-sulfamoyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[(4-methoxy-3-sulfamoyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[(4-methoxy-3-sulfamoyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-(4-methoxy-3-sulfamoylanilino)-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-(4-methoxy-3-sulfamoylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[(4-methoxy-3-sulfamoyl-phenyl)carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CO2)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=CO2)S(=O)(=O)N

InChI

InChI=1S/C17H21N3O6S2/c1-25-13-6-5-11(10-15(13)28(18,23)24)19-16(21)12(7-9-27-2)20-17(22)14-4-3-8-26-14/h3-6,8,10,12H,7,9H2,1-2H3,(H,19,21)(H,20,22)(H2,18,23,24)/t12-/m0/s1