6-(azepan-1-ylsulfonyl)-N-(2,2-dimethoxyethyl)-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(2,2-dimethoxyethyl)-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(2,2-dimethoxyethyl)-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-(2,2-dimethoxyethyl)-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(2,2-dimethoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(2,2-dimethoxyethyl)-2-(3-pyridyl)cinchoninamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CN=CC=C4)OC

Isomeric SMILES

COC(CNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CN=CC=C4)OC

InChI

InChI=1S/C25H30N4O5S/c1-33-24(34-2)17-27-25(30)21-15-23(18-8-7-11-26-16-18)28-22-10-9-19(14-20(21)22)35(31,32)29-12-5-3-4-6-13-29/h7-11,14-16,24H,3-6,12-13,17H2,1-2H3,(H,27,30)