[3-(2-methylsulfonylethyl)-3-pyridin-3-yl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-(2-methylsulfonylethyl)-3-pyridin-3-yl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-(2-methylsulfonylethyl)-3-(3-pyridyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-(2-methylsulfonylethyl)-3-(3-pyridinyl)-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-(2-methylsulfonylethyl)-3-pyridin-3-ylpyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-(2-mesylethyl)-3-(3-pyridyl)pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCS(=O)(=O)C)C3=CN=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCS(=O)(=O)C)C3=CN=CC=C3

InChI

InChI=1S/C22H28N2O6S/c1-28-18-12-16(13-19(29-2)20(18)30-3)21(25)24-10-7-22(15-24,8-11-31(4,26)27)17-6-5-9-23-14-17/h5-6,9,12-14H,7-8,10-11,15H2,1-4H3