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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-(3-methoxypropyl)-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-2-(3-pyridyl)cinchoninamide Formula: C25H30N4O4S MolecularWeight: 482.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CN=CC=C4

Isomeric SMILES

COCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C25H30N4O4S/c1-33-15-7-12-27-25(30)22-17-24(19-8-6-11-26-18-19)28-23-10-9-20(16-21(22)23)34(31,32)29-13-4-2-3-5-14-29/h6,8-11,16-18H,2-5,7,12-15H2,1H3,(H,27,30)