N-(5-piperidin-1-ylisoquinolin-8-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanamide

Systemtic Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanamide Openeye Name: N-[5-(1-piperidyl)-8-isoquinolyl]-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetamide CAS Name: N-[5-(1-piperidinyl)-8-isoquinolinyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]acetamide IUPAC Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide Traditional Name: N-(5-piperidino-8-isoquinolyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acetamide 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)CC4=CC=C(S4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CC4=CC=C(S4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H28N4O3S2/c29-23(16-18-6-9-24(32-18)33(30,31)28-14-4-5-15-28)26-21-7-8-22(27-12-2-1-3-13-27)19-10-11-25-17-20(19)21/h6-11,17H,1-5,12-16H2,(H,26,29)