methyl 4-[[4-(phenylsulfanylmethyl)phenyl]sulfamoylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(phenylsulfanylmethyl)phenyl]sulfamoylmethyl]benzoate Openeye Name: methyl 4-[[4-(phenylsulfanylmethyl)phenyl]sulfamoylmethyl]benzoate CAS Name: 4-[[4-[(phenylthio)methyl]phenyl]sulfamoylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(phenylsulfanylmethyl)phenyl]sulfamoylmethyl]benzoate Traditional Name: 4-[[4-[(phenylthio)methyl]phenyl]sulfamoylmethyl]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)CS(=O)(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3

InChI

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