[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylsulfanyl-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylsulfanyl-phenyl]-morpholin-4-yl-methanone Openeye Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylsulfanyl-phenyl]-morpholino-methanone CAS Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(methylthio)phenyl]-(4-morpholinyl)methanone IUPAC Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylsulfanylphenyl]-morpholin-4-ylmethanone Traditional Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(methylthio)phenyl]-morpholino-methanone Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)N4CCOCC4

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)N4CCOCC4

InChI

InChI=1S/C21H24N2O4S2/c1-28-20-7-6-18(14-19(20)21(24)22-10-12-27-13-11-22)29(25,26)23-9-8-16-4-2-3-5-17(16)15-23/h2-7,14H,8-13,15H2,1H3