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

Systemtic Name: methyl 4-methylsulfanyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[(4-sulfamoylphenyl)methylamino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]butanoate Traditional Name: 4-(methylthio)-2-[(4-sulfamoylbenzyl)carbamoylamino]butyric acid methyl ester Formula: C14H21N3O5S2 MolecularWeight: 375.46364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C14H21N3O5S2/c1-22-13(18)12(7-8-23-2)17-14(19)16-9-10-3-5-11(6-4-10)24(15,20)21/h3-6,12H,7-9H2,1-2H3,(H2,15,20,21)(H2,16,17,19)