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

Systemtic Name: (3S)-N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2-chloro-5-methylsulfonyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(2-chloro-5-methylsulfonylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(2-chloro-5-methylsulfonylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2-chloro-5-mesyl-phenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O5S2/c1-3-29(26,27)22-12-14-7-5-4-6-13(14)10-18(22)19(23)21-17-11-15(28(2,24)25)8-9-16(17)20/h4-9,11,18H,3,10,12H2,1-2H3,(H,21,23)/t18-/m0/s1