3-(azepan-1-ylsulfonyl)-N-isoquinolin-5-yl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-isoquinolin-5-yl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-isoquinolyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(5-isoquinolinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-isoquinolin-5-ylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(5-isoquinolyl)benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H23N3O3S/c26-22(24-21-10-6-8-18-16-23-12-11-20(18)21)17-7-5-9-19(15-17)29(27,28)25-13-3-1-2-4-14-25/h5-12,15-16H,1-4,13-14H2,(H,24,26)