N-isoquinolin-5-yl-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-isoquinolin-5-yl-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-isoquinolyl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(5-isoquinolinyl)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-isoquinolin-5-yl-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(5-isoquinolyl)-4-piperidinosulfonyl-benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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