(3S)-N-(3-chloranyl-4-methyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-methyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-methyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-methylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(3-chloro-4-methylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-methyl-phenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H21ClN2O3S MolecularWeight: 392.89964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O3S/c1-3-26(24,25)22-12-15-7-5-4-6-14(15)10-18(22)19(23)21-16-9-8-13(2)17(20)11-16/h4-9,11,18H,3,10,12H2,1-2H3,(H,21,23)/t18-/m0/s1