N-(5-piperidin-1-ylisoquinolin-8-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-(1-piperidyl)-8-isoquinolyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[5-(1-piperidinyl)-8-isoquinolinyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5-piperidino-8-isoquinolyl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H29N5O3S/c31-25(19-9-15-30(16-10-19)34(32,33)20-5-4-11-26-17-20)28-23-6-7-24(29-13-2-1-3-14-29)21-8-12-27-18-22(21)23/h4-8,11-12,17-19H,1-3,9-10,13-16H2,(H,28,31)