2-(5-methylthiophen-2-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-azepane

Systemtic Name: 2-(5-methylthiophen-2-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-azepane Openeye Name: 2-(5-methyl-2-thienyl)-1-(2,4,6-trimethylphenyl)sulfonyl-azepane CAS Name: 2-(5-methyl-2-thiophenyl)-1-(2,4,6-trimethylphenyl)sulfonylazepane IUPAC Name: 2-(5-methylthiophen-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylazepane Traditional Name: 1-mesitylsulfonyl-2-(5-methyl-2-thienyl)azepane Formula: C20H27NO2S2 MolecularWeight: 377.56388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2CCCCCN2S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=CC=C(S1)C2CCCCCN2S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C20H27NO2S2/c1-14-12-15(2)20(16(3)13-14)25(22,23)21-11-7-5-6-8-18(21)19-10-9-17(4)24-19/h9-10,12-13,18H,5-8,11H2,1-4H3