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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(4-ethoxyphenyl)pyrrolidine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(4-ethoxyphenyl)pyrrolidine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(4-ethoxyphenyl)pyrrolidine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(4-ethoxyphenyl)pyrrolidine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-p-phenetyl-pyrrolidine Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

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