2-ethylsulfonyl-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(4-morpholinophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[4-(4-morpholinyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(4-morpholinophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H27N3O4S/c1-2-30(27,28)25-16-18-6-4-3-5-17(18)15-21(25)22(26)23-19-7-9-20(10-8-19)24-11-13-29-14-12-24/h3-10,21H,2,11-16H2,1H3,(H,23,26)