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

Systemtic Name: N-isoquinolin-5-yl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-isoquinolyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(5-isoquinolinyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-isoquinolin-5-yl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-isoquinolyl)-3-pyrrolidinosulfonyl-benzamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H19N3O3S/c24-20(22-19-8-4-6-16-14-21-10-9-18(16)19)15-5-3-7-17(13-15)27(25,26)23-11-1-2-12-23/h3-10,13-14H,1-2,11-12H2,(H,22,24)