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

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propionamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c21-13-17-16-9-5-2-6-10-18(16)26-20(17)22-19(23)11-12-27(24,25)14-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-12,14H2,(H,22,23)