1-(phenylmethyl)sulfonyl-2-thiophen-2-yl-azepane

Systemtic Name: 1-(phenylmethyl)sulfonyl-2-thiophen-2-yl-azepane Openeye Name: 1-benzylsulfonyl-2-(2-thienyl)azepane CAS Name: 1-(phenylmethyl)sulfonyl-2-thiophen-2-ylazepane IUPAC Name: 1-benzylsulfonyl-2-thiophen-2-ylazepane Traditional Name: 1-benzylsulfonyl-2-(2-thienyl)azepane Formula: C17H21NO2S2 MolecularWeight: 335.48414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)S(=O)(=O)CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C1CCC(N(CC1)S(=O)(=O)CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C17H21NO2S2/c19-22(20,14-15-8-3-1-4-9-15)18-12-6-2-5-10-16(18)17-11-7-13-21-17/h1,3-4,7-9,11,13,16H,2,5-6,10,12,14H2