ethyl 2-oxidanylidene-1-(3-phenylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate

Systemtic Name: ethyl 2-oxidanylidene-1-(3-phenylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate Openeye Name: ethyl 2-oxo-1-(3-phenylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate CAS Name: 2-oxo-1-(3-phenyl-3-pyrrolidinyl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonic acid ethyl ester IUPAC Name: ethyl 2-oxo-1-(3-phenylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate Traditional Name: 2-keto-1-(3-phenylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonic acid ethyl ester Formula: C23H29NO7S MolecularWeight: 463.54386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2(CCNC2)C3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2(CCNC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO7S/c1-5-31-32(26,27)22(23(11-12-24-15-23)17-9-7-6-8-10-17)20(25)16-13-18(28-2)21(30-4)19(14-16)29-3/h6-10,13-14,22,24H,5,11-12,15H2,1-4H3