4-[S-(4-carboxylatophenyl)-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]benzoate

Systemtic Name: 4-[S-(4-carboxylatophenyl)-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]benzoate Openeye Name: 4-[S-(4-carboxylatophenyl)-N-(p-tolylsulfonyl)sulfinimidoyl]benzoate CAS Name: 4-[S-(4-carboxylatophenyl)-N-(4-methylphenyl)sulfonylsulfinimidoyl]benzoate IUPAC Name: 4-[S-(4-carboxylatophenyl)-N-(4-methylphenyl)sulfonylsulfinimidoyl]benzoate Traditional Name: 4-[S-(4-carboxylatophenyl)-N-tosyl-sulfinimidoyl]benzoate Formula: C21H15NO6S2-2 MolecularWeight: 441.4769

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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)/p-2