3-(azepan-1-ylsulfonyl)-4-methoxy-N-quinolin-5-yl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-quinolin-5-yl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(5-quinolyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(5-quinolinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-quinolin-5-ylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(5-quinolyl)benzamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O4S/c1-30-21-12-11-17(16-22(21)31(28,29)26-14-4-2-3-5-15-26)23(27)25-20-10-6-9-19-18(20)8-7-13-24-19/h6-13,16H,2-5,14-15H2,1H3,(H,25,27)