2-ethylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[(1-morpholinocyclohexyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[(1-morpholinocyclohexyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3(CCCCC3)N4CCOCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3(CCCCC3)N4CCOCC4

InChI

InChI=1S/C23H35N3O4S/c1-2-31(28,29)26-17-20-9-5-4-8-19(20)16-21(26)22(27)24-18-23(10-6-3-7-11-23)25-12-14-30-15-13-25/h4-5,8-9,21H,2-3,6-7,10-18H2,1H3,(H,24,27)