3-(2-methylpropylsulfanyl)-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2-methylpropylsulfanyl)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-isobutylsulfanyl-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(2-methylpropylthio)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(2-methylpropylsulfanyl)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-(isobutylthio)-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CC(C)CSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C17H19NO5S2/c1-11(2)10-24-14-8-12(17(19)20)9-15(25(18,21)22)16(14)23-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,19,20)(H2,18,21,22)