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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(2-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2-methyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(N-mesyl-2-methyl-anilino)acetamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C3=CC=CC=C3C)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C3=CC=CC=C3C)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O3S2/c1-13-8-9-15-16(11-21)20(27-18(15)10-13)22-19(24)12-23(28(3,25)26)17-7-5-4-6-14(17)2/h4-7,13H,8-10,12H2,1-3H3,(H,22,24)/t13-/m0/s1