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

Systemtic Name: 3-(3-oxidanylpropylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(3-hydroxypropylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-(3-hydroxypropylamino)-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-(3-hydroxypropylamino)-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(3-hydroxypropylamino)-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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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)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S2/c17-25(22,23)14-10-11(16(20)21)9-13(18-7-4-8-19)15(14)24-12-5-2-1-3-6-12/h1-3,5-6,9-10,18-19H,4,7-8H2,(H,20,21)(H2,17,22,23)