ethyl 3-(phenylmethylsulfanyl)-4-phenylsulfanyl-5-sulfamoyl-benzoate

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)-4-phenylsulfanyl-5-sulfamoyl-benzoate Openeye Name: ethyl 3-benzylsulfanyl-4-phenylsulfanyl-5-sulfamoyl-benzoate CAS Name: 3-(phenylmethylthio)-4-(phenylthio)-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-4-phenylsulfanyl-5-sulfamoylbenzoate Traditional Name: 3-(benzylthio)-4-(phenylthio)-5-sulfamoyl-benzoic acid ethyl ester Formula: C22H21NO4S3 MolecularWeight: 459.60144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S3/c1-2-27-22(24)17-13-19(28-15-16-9-5-3-6-10-16)21(20(14-17)30(23,25)26)29-18-11-7-4-8-12-18/h3-14H,2,15H2,1H3,(H2,23,25,26)