2-(3-methylthiophen-2-yl)-1-(2,4,5-trimethylphenyl)sulfonyl-azepane

Systemtic Name: 2-(3-methylthiophen-2-yl)-1-(2,4,5-trimethylphenyl)sulfonyl-azepane Openeye Name: 2-(3-methyl-2-thienyl)-1-(2,4,5-trimethylphenyl)sulfonyl-azepane CAS Name: 2-(3-methyl-2-thiophenyl)-1-(2,4,5-trimethylphenyl)sulfonylazepane IUPAC Name: 2-(3-methylthiophen-2-yl)-1-(2,4,5-trimethylphenyl)sulfonylazepane Traditional Name: 2-(3-methyl-2-thienyl)-1-(2,4,5-trimethylphenyl)sulfonyl-azepane Formula: C20H27NO2S2 MolecularWeight: 377.56388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2CCCCCN2S(=O)(=O)C3=C(C=C(C(=C3)C)C)C

Isomeric SMILES

CC1=C(SC=C1)C2CCCCCN2S(=O)(=O)C3=C(C=C(C(=C3)C)C)C

InChI

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