4-(phenylmethyl)-3-prop-2-enylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(phenylmethyl)-3-prop-2-enylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-allylsulfanyl-4-benzyl-5-sulfamoyl-benzoic acid CAS Name: 4-(phenylmethyl)-3-(prop-2-enylthio)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-prop-2-enylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(allylthio)-4-benzyl-5-sulfamoyl-benzoic acid Formula: C17H17NO4S2 MolecularWeight: 363.45118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)CC2=CC=CC=C2

Isomeric SMILES

C=CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C17H17NO4S2/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/h2-7,10-11H,1,8-9H2,(H,19,20)(H2,18,21,22)