[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone

Systemtic Name: [2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone Openeye Name: [2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone CAS Name: [2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-[3-(methylsulfonylmethyl)phenyl]methanone IUPAC Name: [2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone Traditional Name: [2-(3,4-dimethoxyphenyl)pyrrolidino]-[3-(mesylmethyl)phenyl]methanone Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)C3=CC(=CC=C3)CS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)C3=CC(=CC=C3)CS(=O)(=O)C)OC

InChI

InChI=1S/C21H25NO5S/c1-26-19-10-9-16(13-20(19)27-2)18-8-5-11-22(18)21(23)17-7-4-6-15(12-17)14-28(3,24)25/h4,6-7,9-10,12-13,18H,5,8,11,14H2,1-3H3