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

Systemtic Name: cyanomethyl 4-(phenylmethyl)-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate Openeye Name: cyanomethyl 4-benzyl-3-benzylsulfanyl-5-sulfamoyl-benzoate CAS Name: 4-(phenylmethyl)-3-(phenylmethylthio)-5-sulfamoylbenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-benzyl-3-benzylsulfanyl-5-sulfamoylbenzoate Traditional Name: 4-benzyl-3-(benzylthio)-5-sulfamoyl-benzoic acid cyanomethyl ester Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)OCC#N)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)OCC#N)SCC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4S2/c24-11-12-29-23(26)19-14-21(30-16-18-9-5-2-6-10-18)20(22(15-19)31(25,27)28)13-17-7-3-1-4-8-17/h1-10,14-15H,12-13,16H2,(H2,25,27,28)