4-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H25N3O3S2/c23-15-19-18-7-3-4-8-20(18)29-22(19)24-21(26)16-9-11-17(12-10-16)30(27,28)25-13-5-1-2-6-14-25/h9-12H,1-8,13-14H2,(H,24,26)