N-isoquinolin-5-yl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-isoquinolin-5-yl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-isoquinolyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(5-isoquinolinyl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-isoquinolin-5-yl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(5-isoquinolyl)-3-piperidinosulfonyl-benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21N3O3S/c25-21(23-20-9-5-7-17-15-22-11-10-19(17)20)16-6-4-8-18(14-16)28(26,27)24-12-2-1-3-13-24/h4-11,14-15H,1-3,12-13H2,(H,23,25)