N-(5-piperidin-1-ylisoquinolin-8-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[5-(1-piperidyl)-8-isoquinolyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[5-(1-piperidinyl)-8-isoquinolinyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(5-piperidino-8-isoquinolyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C24H28N4O3S2 MolecularWeight: 484.63412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H28N4O3S2/c29-24(18-6-4-14-28(17-18)33(30,31)23-7-5-15-32-23)26-21-8-9-22(27-12-2-1-3-13-27)19-10-11-25-16-20(19)21/h5,7-11,15-16,18H,1-4,6,12-14,17H2,(H,26,29)