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

Systemtic Name: [2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Openeye Name: [2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone CAS Name: [2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-[4-(methylsulfonylmethyl)phenyl]methanone IUPAC Name: [2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Traditional Name: [2-(3,4-dimethoxyphenyl)pyrrolidino]-[4-(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=C(C=C3)CS(=O)(=O)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-26-19-11-10-17(13-20(19)27-2)18-5-4-12-22(18)21(23)16-8-6-15(7-9-16)14-28(3,24)25/h6-11,13,18H,4-5,12,14H2,1-3H3