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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=CC=C4Cl)C5=CN=CC=C5

Isomeric SMILES

CC1CCN(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/c1-19-10-13-33(14-11-19)37(35,36)22-8-9-26-23(15-22)24(16-27(32-26)21-6-4-12-30-17-21)28(34)31-18-20-5-2-3-7-25(20)29/h2-9,12,15-17,19H,10-11,13-14,18H2,1H3,(H,31,34)