(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H20N4O3S2 MolecularWeight: 392.4957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NN=C(S3)C4CC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NC3=NN=C(S3)C4CC4

InChI

InChI=1S/C17H20N4O3S2/c1-2-26(23,24)21-10-13-6-4-3-5-12(13)9-14(21)15(22)18-17-20-19-16(25-17)11-7-8-11/h3-6,11,14H,2,7-10H2,1H3,(H,18,20,22)/t14-/m1/s1