4-[7-(piperidin-3-ylmethoxy)isoquinolin-6-yl]benzenesulfonamide

Systemtic Name: 4-[7-(piperidin-3-ylmethoxy)isoquinolin-6-yl]benzenesulfonamide Openeye Name: 4-[7-(3-piperidylmethoxy)-6-isoquinolyl]benzenesulfonamide CAS Name: 4-[7-(3-piperidinylmethoxy)-6-isoquinolinyl]benzenesulfonamide IUPAC Name: 4-[7-(piperidin-3-ylmethoxy)isoquinolin-6-yl]benzenesulfonamide Traditional Name: 4-[7-(3-piperidylmethoxy)-6-isoquinolyl]benzenesulfonamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)COC2=C(C=C3C=CN=CC3=C2)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CC(CNC1)COC2=C(C=C3C=CN=CC3=C2)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H23N3O3S/c22-28(25,26)19-5-3-16(4-6-19)20-10-17-7-9-24-13-18(17)11-21(20)27-14-15-2-1-8-23-12-15/h3-7,9-11,13,15,23H,1-2,8,12,14H2,(H2,22,25,26)