2-(5-methylthiophen-2-yl)-1-(phenylmethyl)sulfonyl-azepane

Systemtic Name: 2-(5-methylthiophen-2-yl)-1-(phenylmethyl)sulfonyl-azepane Openeye Name: 1-benzylsulfonyl-2-(5-methyl-2-thienyl)azepane CAS Name: 2-(5-methyl-2-thiophenyl)-1-(phenylmethyl)sulfonylazepane IUPAC Name: 1-benzylsulfonyl-2-(5-methylthiophen-2-yl)azepane Traditional Name: 1-benzylsulfonyl-2-(5-methyl-2-thienyl)azepane Formula: C18H23NO2S2 MolecularWeight: 349.51072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2CCCCCN2S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C2CCCCCN2S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H23NO2S2/c1-15-11-12-18(22-15)17-10-6-3-7-13-19(17)23(20,21)14-16-8-4-2-5-9-16/h2,4-5,8-9,11-12,17H,3,6-7,10,13-14H2,1H3