2-ethylsulfonyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(2-methyl-4-quinolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(2-methyl-4-quinolinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(2-methyl-4-quinolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C22H23N3O3S/c1-3-29(27,28)25-14-17-9-5-4-8-16(17)13-21(25)22(26)24-20-12-15(2)23-19-11-7-6-10-18(19)20/h4-12,21H,3,13-14H2,1-2H3,(H,23,24,26)