[4-[3-phenyl-2-(phenylsulfonylamino)-1,3-thiazol-3-ium-4-yl]phenyl] benzoate

Systemtic Name: [4-[3-phenyl-2-(phenylsulfonylamino)-1,3-thiazol-3-ium-4-yl]phenyl] benzoate Openeye Name: [4-[2-(benzenesulfonamido)-3-phenyl-thiazol-3-ium-4-yl]phenyl] benzoate CAS Name: benzoic acid [4-[2-(benzenesulfonamido)-3-phenyl-4-thiazol-3-iumyl]phenyl] ester IUPAC Name: [4-[2-(benzenesulfonamido)-3-phenyl-1,3-thiazol-3-ium-4-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-(benzenesulfonamido)-3-phenyl-thiazol-3-ium-4-yl]phenyl] ester Formula: C28H21N2O4S2+ MolecularWeight: 513.60734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CSC(=[N+]3C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CSC(=[N+]3C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H20N2O4S2/c31-27(22-10-4-1-5-11-22)34-24-18-16-21(17-19-24)26-20-35-28(30(26)23-12-6-2-7-13-23)29-36(32,33)25-14-8-3-9-15-25/h1-20H/p+1