1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-morpholinosulfonylphenyl)propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-morpholinosulfonylphenyl)propan-1-one Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N2O4S/c25-22(23-12-11-19-3-1-2-4-20(19)17-23)10-7-18-5-8-21(9-6-18)29(26,27)24-13-15-28-16-14-24/h1-6,8-9H,7,10-17H2