methyl 4-(phenylmethyl)-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate

Systemtic Name: methyl 4-(phenylmethyl)-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate Openeye Name: methyl 4-benzyl-3-benzylsulfanyl-5-sulfamoyl-benzoate CAS Name: 4-(phenylmethyl)-3-(phenylmethylthio)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-benzyl-3-benzylsulfanyl-5-sulfamoylbenzoate Traditional Name: 4-benzyl-3-(benzylthio)-5-sulfamoyl-benzoic acid methyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)CC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)CC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S2/c1-27-22(24)18-13-20(28-15-17-10-6-3-7-11-17)19(21(14-18)29(23,25)26)12-16-8-4-2-5-9-16/h2-11,13-14H,12,15H2,1H3,(H2,23,25,26)