methyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C20H18N2O4S2/c1-26-20(23)16-4-10-19(11-5-16)28(24,25)22-17-6-8-18(9-7-17)27-14-15-3-2-12-21-13-15/h2-13,22H,14H2,1H3