3-(cyclobutylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(cyclobutylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(cyclobutylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-(cyclobutylmethylamino)-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-(cyclobutylmethylamino)-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(cyclobutylmethylamino)-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=CC=C3

Isomeric SMILES

C1CC(C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O4S2/c19-26(23,24)16-10-13(18(21)22)9-15(20-11-12-5-4-6-12)17(16)25-14-7-2-1-3-8-14/h1-3,7-10,12,20H,4-6,11H2,(H,21,22)(H2,19,23,24)