N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C#N

InChI

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