4-(phenylmethyl)-3-(1-pyridin-4-ylethylsulfanyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(phenylmethyl)-3-(1-pyridin-4-ylethylsulfanyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-[1-(4-pyridyl)ethylsulfanyl]-5-sulfamoyl-benzoic acid CAS Name: 4-(phenylmethyl)-3-(1-pyridin-4-ylethylthio)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-(1-pyridin-4-ylethylsulfanyl)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-[1-(4-pyridyl)ethylthio]-5-sulfamoyl-benzoic acid Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)SC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=NC=C1)SC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S2/c1-14(16-7-9-23-10-8-16)28-19-12-17(21(24)25)13-20(29(22,26)27)18(19)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3,(H,24,25)(H2,22,26,27)