1-(2-methylphenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane

Systemtic Name: 1-(2-methylphenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane Openeye Name: 2-(3-methyl-2-thienyl)-1-(o-tolylsulfonyl)azepane CAS Name: 1-(2-methylphenyl)sulfonyl-2-(3-methyl-2-thiophenyl)azepane IUPAC Name: 1-(2-methylphenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane Traditional Name: 2-(3-methyl-2-thienyl)-1-(o-tolylsulfonyl)azepane Formula: C18H23NO2S2 MolecularWeight: 349.51072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2CCCCCN2S(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(SC=C1)C2CCCCCN2S(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C18H23NO2S2/c1-14-8-5-6-10-17(14)23(20,21)19-12-7-3-4-9-16(19)18-15(2)11-13-22-18/h5-6,8,10-11,13,16H,3-4,7,9,12H2,1-2H3