6-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-2-(3-pyridyl)cinchoninamide Formula: C29H29ClN4O3S MolecularWeight: 549.08356

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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)NCCC4=CC=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCC4=CC=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C29H29ClN4O3S/c30-23-9-7-21(8-10-23)13-15-32-29(35)26-19-28(22-6-5-14-31-20-22)33-27-12-11-24(18-25(26)27)38(36,37)34-16-3-1-2-4-17-34/h5-12,14,18-20H,1-4,13,15-17H2,(H,32,35)