2-methylsulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-methylsulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-methylsulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-methylsulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-methylsulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-mesyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C18H21N3O3S2/c1-26(23,24)21-11-13-7-3-2-6-12(13)10-15(21)17(22)20-18-19-14-8-4-5-9-16(14)25-18/h2-3,6-7,15H,4-5,8-11H2,1H3,(H,19,20,22)