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

Systemtic Name: 3-(3-oxidanylpropylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-(3-hydroxypropylamino)-5-sulfamoyl-benzoic acid CAS Name: 3-(3-hydroxypropylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-(3-hydroxypropylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-(3-hydroxypropylamino)-5-sulfamoyl-benzoic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCO

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCO

InChI

InChI=1S/C17H20N2O5S/c18-25(23,24)16-11-13(17(21)22)10-15(19-7-4-8-20)14(16)9-12-5-2-1-3-6-12/h1-3,5-6,10-11,19-20H,4,7-9H2,(H,21,22)(H2,18,23,24)