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

Systemtic Name: 4-(phenylmethyl)-3-propylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-propylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 4-(phenylmethyl)-3-(propylthio)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-propylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-(propylthio)-5-sulfamoyl-benzoic acid Formula: C17H19NO4S2 MolecularWeight: 365.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CCCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4S2/c1-2-8-23-15-10-13(17(19)20)11-16(24(18,21)22)14(15)9-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,20)(H2,18,21,22)