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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-morpholino-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-morpholino-5-piperidinosulfonyl-phenyl)methanone Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H31N3O4S/c29-25(27-13-10-20-6-2-3-7-21(20)19-27)23-18-22(33(30,31)28-11-4-1-5-12-28)8-9-24(23)26-14-16-32-17-15-26/h2-3,6-9,18H,1,4-5,10-17,19H2