(3R)-2-methylsulfonyl-N-[4-(1,3-thiazol-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-methylsulfonyl-N-[4-(1,3-thiazol-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-methylsulfonyl-N-(4-thiazol-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-methylsulfonyl-N-[4-(2-thiazolyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-methylsulfonyl-N-[4-(1,3-thiazol-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-mesyl-N-(4-thiazol-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C4=NC=CS4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NC3=CC=C(C=C3)C4=NC=CS4

InChI

InChI=1S/C20H19N3O3S2/c1-28(25,26)23-13-16-5-3-2-4-15(16)12-18(23)19(24)22-17-8-6-14(7-9-17)20-21-10-11-27-20/h2-11,18H,12-13H2,1H3,(H,22,24)/t18-/m1/s1