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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methoxy-5-morpholinosulfonyl-phenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methoxy-5-morpholinosulfonyl-phenyl)methanone Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O5S/c1-27-20-7-6-18(29(25,26)23-10-12-28-13-11-23)14-19(20)21(24)22-9-8-16-4-2-3-5-17(16)15-22/h2-7,14H,8-13,15H2,1H3