(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)azepane

Systemtic Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)azepane Openeye Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)azepane CAS Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)azepane IUPAC Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)azepane Traditional Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)azepane Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25NO5S/c1-25-17-8-6-16(7-9-17)19-5-3-2-4-12-22(19)28(23,24)18-10-11-20-21(15-18)27-14-13-26-20/h6-11,15,19H,2-5,12-14H2,1H3/t19-/m1/s1