3-[[1-(diphenylmethyl)azetidin-3-ylidene]-methylsulfonyl-methyl]benzoic acid hydrochloride

Systemtic Name: 3-[[1-(diphenylmethyl)azetidin-3-ylidene]-methylsulfonyl-methyl]benzoic acid hydrochloride Openeye Name: 3-[(1-benzhydrylazetidin-3-ylidene)-methylsulfonyl-methyl]benzoic acid hydrochloride CAS Name: 3-[[1-(diphenylmethyl)-3-azetidinylidene]-methylsulfonylmethyl]benzoic acid hydrochloride IUPAC Name: 3-[(1-benzhydrylazetidin-3-ylidene)-methylsulfonylmethyl]benzoic acid hydrochloride Traditional Name: 3-[(1-benzhydrylazetidin-3-ylidene)-mesyl-methyl]benzoic acid hydrochloride Formula: C25H24ClNO4S MolecularWeight: 469.98036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)C(=O)O.Cl

Isomeric SMILES

CS(=O)(=O)C(=C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)C(=O)O.Cl

InChI

InChI=1S/C25H23NO4S.ClH/c1-31(29,30)24(20-13-8-14-21(15-20)25(27)28)22-16-26(17-22)23(18-9-4-2-5-10-18)19-11-6-3-7-12-19;/h2-15,23H,16-17H2,1H3,(H,27,28);1H