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

Systemtic Name: ethyl 4-(phenylmethyl)-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate Openeye Name: ethyl 4-benzyl-3-benzylsulfanyl-5-sulfamoyl-benzoate CAS Name: 4-(phenylmethyl)-3-(phenylmethylthio)-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 4-benzyl-3-benzylsulfanyl-5-sulfamoylbenzoate Traditional Name: 4-benzyl-3-(benzylthio)-5-sulfamoyl-benzoic acid ethyl ester Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO4S2/c1-2-28-23(25)19-14-21(29-16-18-11-7-4-8-12-18)20(22(15-19)30(24,26)27)13-17-9-5-3-6-10-17/h3-12,14-15H,2,13,16H2,1H3,(H2,24,26,27)