N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanamide

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-morpholinosulfonylphenoxy)acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[4-(4-morpholinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-morpholinosulfonylphenoxy)acetamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O5S2/c1-15-2-7-18-19(13-23)22(31-20(18)12-15)24-21(26)14-30-16-3-5-17(6-4-16)32(27,28)25-8-10-29-11-9-25/h3-6,15H,2,7-12,14H2,1H3,(H,24,26)/t15-/m0/s1