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

Systemtic Name: 1-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]azepane Openeye Name: 1-[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidyl]methyl]azepane CAS Name: 1-[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]methyl]azepane IUPAC Name: 1-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]azepane Traditional Name: 1-[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidyl]methyl]azepane Formula: C20H32N2O2S MolecularWeight: 364.54528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3)C

InChI

InChI=1S/C20H32N2O2S/c1-17-7-8-20(18(2)15-17)25(23,24)22-13-9-19(10-14-22)16-21-11-5-3-4-6-12-21/h7-8,15,19H,3-6,9-14,16H2,1-2H3