4-[S-(4-carboxyphenyl)-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]benzoic acid

Systemtic Name: 4-[S-(4-carboxyphenyl)-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]benzoic acid Openeye Name: 4-[S-(4-carboxyphenyl)-N-(p-tolylsulfonyl)sulfinimidoyl]benzoic acid CAS Name: 4-[S-(4-carboxyphenyl)-N-(4-methylphenyl)sulfonylsulfinimidoyl]benzoic acid IUPAC Name: 4-[S-(4-carboxyphenyl)-N-(4-methylphenyl)sulfonylsulfinimidoyl]benzoic acid Traditional Name: 4-[S-(4-carboxyphenyl)-N-tosyl-sulfinimidoyl]benzoic acid Formula: C21H17NO6S2 MolecularWeight: 443.49278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=S(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=S(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17NO6S2/c1-14-2-12-19(13-3-14)30(27,28)22-29(17-8-4-15(5-9-17)20(23)24)18-10-6-16(7-11-18)21(25)26/h2-13H,1H3,(H,23,24)(H,25,26)