N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-piperidinosulfonyl-benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-15-8-9-18-19(14-23)22(29-20(18)12-15)24-21(26)16-6-5-7-17(13-16)30(27,28)25-10-3-2-4-11-25/h5-7,13,15H,2-4,8-12H2,1H3,(H,24,26)/t15-/m1/s1