(2S)-N-(4-methoxy-3-sulfamoyl-phenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(4-methoxy-3-sulfamoyl-phenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(4-methoxy-3-sulfamoyl-phenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(4-methoxy-3-sulfamoylphenyl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(4-methoxy-3-sulfamoylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(4-methoxy-3-sulfamoyl-phenyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C20H25N3O6S2/c1-28-17-9-8-14(12-18(17)31(21,26)27)22-20(25)16(10-11-30-2)23-19(24)13-29-15-6-4-3-5-7-15/h3-9,12,16H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)(H2,21,26,27)/t16-/m0/s1