1-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]azepane

Systemtic Name: 1-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]azepane Openeye Name: 1-[[1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidyl]methyl]azepane CAS Name: 1-[[1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidinyl]methyl]azepane IUPAC Name: 1-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]azepane Traditional Name: 1-[[1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidyl]methyl]azepane Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3

InChI

InChI=1S/C20H32N2O4S/c1-25-18-7-8-19(26-2)20(15-18)27(23,24)22-13-9-17(10-14-22)16-21-11-5-3-4-6-12-21/h7-8,15,17H,3-6,9-14,16H2,1-2H3