N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(2-thienyl)cinchoninamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C26H25N3O3S2/c1-18-11-12-19(34(31,32)29-13-5-2-6-14-29)16-23(18)28-26(30)21-17-24(25-10-7-15-33-25)27-22-9-4-3-8-20(21)22/h3-4,7-12,15-17H,2,5-6,13-14H2,1H3,(H,28,30)