N-(5-piperidin-1-ylisoquinolin-8-yl)-2-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-2-propan-2-ylsulfonyl-benzamide Openeye Name: 2-isopropylsulfonyl-N-[5-(1-piperidyl)-8-isoquinolyl]benzamide CAS Name: N-[5-(1-piperidinyl)-8-isoquinolinyl]-2-propan-2-ylsulfonylbenzamide IUPAC Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-2-propan-2-ylsulfonylbenzamide Traditional Name: 2-isopropylsulfonyl-N-(5-piperidino-8-isoquinolyl)benzamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C24H27N3O3S/c1-17(2)31(29,30)23-9-5-4-8-19(23)24(28)26-21-10-11-22(27-14-6-3-7-15-27)18-12-13-25-16-20(18)21/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,26,28)