N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide Traditional Name: 2-benzylsulfonyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S2/c20-11-16-15-9-5-2-6-10-17(15)25-19(16)21-18(22)13-26(23,24)12-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-10,12-13H2,(H,21,22)