4-[3-(4-methylsulfonylphenyl)isoquinolin-1-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[3-(4-methylsulfonylphenyl)isoquinolin-1-yl]piperazine-1-carbaldehyde Openeye Name: 4-[3-(4-methylsulfonylphenyl)-1-isoquinolyl]piperazine-1-carbaldehyde CAS Name: 4-[3-(4-methylsulfonylphenyl)-1-isoquinolinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[3-(4-methylsulfonylphenyl)isoquinolin-1-yl]piperazine-1-carbaldehyde Traditional Name: 4-[3-(4-mesylphenyl)-1-isoquinolyl]piperazine-1-carbaldehyde Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)C=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)C=O

InChI

InChI=1S/C21H21N3O3S/c1-28(26,27)18-8-6-16(7-9-18)20-14-17-4-2-3-5-19(17)21(22-20)24-12-10-23(15-25)11-13-24/h2-9,14-15H,10-13H2,1H3