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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-butyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-butyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-butyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-butyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-butyl-2-(3-pyridyl)cinchoninamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S/c1-2-3-13-27-25(30)22-17-24(19-9-8-12-26-18-19)28-23-11-10-20(16-21(22)23)33(31,32)29-14-6-4-5-7-15-29/h8-12,16-18H,2-7,13-15H2,1H3,(H,27,30)