methyl 4-(3-phenylsulfanylpropylsulfamoyl)benzoate

Systemtic Name: methyl 4-(3-phenylsulfanylpropylsulfamoyl)benzoate Openeye Name: methyl 4-(3-phenylsulfanylpropylsulfamoyl)benzoate CAS Name: 4-[3-(phenylthio)propylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-(3-phenylsulfanylpropylsulfamoyl)benzoate Traditional Name: 4-[3-(phenylthio)propylsulfamoyl]benzoic acid methyl ester Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4S2/c1-22-17(19)14-8-10-16(11-9-14)24(20,21)18-12-5-13-23-15-6-3-2-4-7-15/h2-4,6-11,18H,5,12-13H2,1H3