(3S)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(5-chloro-2-morpholino-phenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(5-chloro-2-morpholino-phenyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

InChI

InChI=1S/C21H24ClN3O4S/c1-30(27,28)25-14-16-5-3-2-4-15(16)12-20(25)21(26)23-18-13-17(22)6-7-19(18)24-8-10-29-11-9-24/h2-7,13,20H,8-12,14H2,1H3,(H,23,26)/t20-/m0/s1