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

Systemtic Name: 3-(4-oxidanylbutylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(4-hydroxybutylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-(4-hydroxybutylamino)-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-(4-hydroxybutylamino)-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(4-hydroxybutylamino)-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCCO

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCCO

InChI

InChI=1S/C17H20N2O5S2/c18-26(23,24)15-11-12(17(21)22)10-14(19-8-4-5-9-20)16(15)25-13-6-2-1-3-7-13/h1-3,6-7,10-11,19-20H,4-5,8-9H2,(H,21,22)(H2,18,23,24)