1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(3,4-dimethoxyphenyl)pyrrolidine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(3,4-dimethoxyphenyl)pyrrolidine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(3,4-dimethoxyphenyl)pyrrolidine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(3,4-dimethoxyphenyl)pyrrolidine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(3,4-dimethoxyphenyl)pyrrolidine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(3,4-dimethoxyphenyl)pyrrolidine Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)OC

InChI

InChI=1S/C21H25NO6S/c1-25-18-8-6-15(13-20(18)26-2)17-5-3-10-22(17)29(23,24)16-7-9-19-21(14-16)28-12-4-11-27-19/h6-9,13-14,17H,3-5,10-12H2,1-2H3