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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-cyclopentyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-cyclopentyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-cyclopentyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-cyclopentyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-cyclopentyl-2-(3-pyridyl)cinchoninamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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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)NC4CCCC4)C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NC4CCCC4)C5=CN=CC=C5

InChI

InChI=1S/C26H30N4O3S/c31-26(28-20-9-3-4-10-20)23-17-25(19-8-7-13-27-18-19)29-24-12-11-21(16-22(23)24)34(32,33)30-14-5-1-2-6-15-30/h7-8,11-13,16-18,20H,1-6,9-10,14-15H2,(H,28,31)