3-(azepan-1-ylsulfonyl)-N-isoquinolin-5-yl-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-isoquinolin-5-yl-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-isoquinolyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(5-isoquinolinyl)-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-isoquinolin-5-yl-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(5-isoquinolyl)-4-methyl-benzamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O3S/c1-17-9-10-18(15-22(17)30(28,29)26-13-4-2-3-5-14-26)23(27)25-21-8-6-7-19-16-24-12-11-20(19)21/h6-12,15-16H,2-5,13-14H2,1H3,(H,25,27)