5-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-thiochroman-4-yl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-thiochroman-4-yl-benzamide Formula: C23H28N2O4S2 MolecularWeight: 460.60942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C23H28N2O4S2/c1-29-21-11-10-17(31(27,28)25-13-6-2-3-7-14-25)16-19(21)23(26)24-20-12-15-30-22-9-5-4-8-18(20)22/h4-5,8-11,16,20H,2-3,6-7,12-15H2,1H3,(H,24,26)