1-(2,5-dimethoxyphenyl)sulfonyl-2-(4-methoxyphenyl)azepane

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-2-(4-methoxyphenyl)azepane Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-2-(4-methoxyphenyl)azepane CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-2-(4-methoxyphenyl)azepane IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-2-(4-methoxyphenyl)azepane Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-2-(4-methoxyphenyl)azepane Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H27NO5S/c1-25-17-10-8-16(9-11-17)19-7-5-4-6-14-22(19)28(23,24)21-15-18(26-2)12-13-20(21)27-3/h8-13,15,19H,4-7,14H2,1-3H3