methyl 4-methylsulfanyl-2-[(4-sulfamoylphenyl)carbamoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(4-sulfamoylphenyl)carbamoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(4-sulfamoylphenyl)carbamoylamino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-(4-sulfamoylanilino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(4-sulfamoylphenyl)carbamoylamino]butanoate Traditional Name: 4-(methylthio)-2-[(4-sulfamoylphenyl)carbamoylamino]butyric acid methyl ester Formula: C13H19N3O5S2 MolecularWeight: 361.43706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C13H19N3O5S2/c1-21-12(17)11(7-8-22-2)16-13(18)15-9-3-5-10(6-4-9)23(14,19)20/h3-6,11H,7-8H2,1-2H3,(H2,14,19,20)(H2,15,16,18)