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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-cyclopropyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-cyclopropyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-cyclopropyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-cyclopropyl-2-(3-pyridyl)cinchoninamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NC4CC4)C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NC4CC4)C5=CN=CC=C5

InChI

InChI=1S/C24H26N4O3S/c29-24(26-18-7-8-18)21-15-23(17-6-5-11-25-16-17)27-22-10-9-19(14-20(21)22)32(30,31)28-12-3-1-2-4-13-28/h5-6,9-11,14-16,18H,1-4,7-8,12-13H2,(H,26,29)