[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-(methylsulfinylmethyl)benzoate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C26H27NO4S MolecularWeight: 449.56188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H27NO4S/c1-32(30)19-20-9-8-14-23(17-20)26(29)31-18-25(28)27-16-15-24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,17,24H,15-16,18-19H2,1H3,(H,27,28)