4-methyl-3-[(2-prop-2-enylsulfanylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[(2-prop-2-enylsulfanylphenyl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-allylsulfanylphenyl)sulfamoyl]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[2-(prop-2-enylthio)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[(2-prop-2-enylsulfanylphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[[2-(allylthio)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C17H17NO4S2 MolecularWeight: 363.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C17H17NO4S2/c1-3-10-23-15-7-5-4-6-14(15)18-24(21,22)16-11-13(17(19)20)9-8-12(16)2/h3-9,11,18H,1,10H2,2H3,(H,19,20)