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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28N2O3S/c26-23(24-17-14-20-6-2-3-7-21(20)18-24)13-10-19-8-11-22(12-9-19)29(27,28)25-15-4-1-5-16-25/h2-3,6-9,11-12H,1,4-5,10,13-18H2