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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[(2-chlorophenyl)methyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(2-chlorobenzyl)-2-(3-pyridyl)cinchoninamide Formula: C28H27ClN4O3S MolecularWeight: 535.05698

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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)NCC4=CC=CC=C4Cl)C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=CC=C4Cl)C5=CN=CC=C5

InChI

InChI=1S/C28H27ClN4O3S/c29-25-10-4-3-8-20(25)19-31-28(34)24-17-27(21-9-7-13-30-18-21)32-26-12-11-22(16-23(24)26)37(35,36)33-14-5-1-2-6-15-33/h3-4,7-13,16-18H,1-2,5-6,14-15,19H2,(H,31,34)