N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O5S2/c1-29-18-7-6-15(12-20(18)32(27,28)25-8-10-30-11-9-25)13-21(26)24-22-17(14-23)16-4-2-3-5-19(16)31-22/h6-7,12H,2-5,8-11,13H2,1H3,(H,24,26)