3-[[1,1,3-tris(oxidanylidene)-4,5-bis(phenylmethyl)-1,2,5-thiadiazolidin-2-yl]methylsulfonyl]benzoic acid

Systemtic Name: 3-[[1,1,3-tris(oxidanylidene)-4,5-bis(phenylmethyl)-1,2,5-thiadiazolidin-2-yl]methylsulfonyl]benzoic acid Openeye Name: 3-[(4,5-dibenzyl-1,1,3-trioxo-1,2,5-thiadiazolidin-2-yl)methylsulfonyl]benzoic acid CAS Name: 3-[[1,1,3-trioxo-4,5-bis(phenylmethyl)-1,2,5-thiadiazolidin-2-yl]methylsulfonyl]benzoic acid IUPAC Name: 3-[(4,5-dibenzyl-1,1,3-trioxo-1,2,5-thiadiazolidin-2-yl)methylsulfonyl]benzoic acid Traditional Name: 3-[(4,5-dibenzyl-1,1,3-triketo-1,2,5-thiadiazolidin-2-yl)methylsulfonyl]benzoic acid Formula: C24H22N2O7S2 MolecularWeight: 514.57068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)N(S(=O)(=O)N2CC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)N(S(=O)(=O)N2CC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H22N2O7S2/c27-23-22(14-18-8-3-1-4-9-18)25(16-19-10-5-2-6-11-19)35(32,33)26(23)17-34(30,31)21-13-7-12-20(15-21)24(28)29/h1-13,15,22H,14,16-17H2,(H,28,29)