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

Systemtic Name: N-(4-methoxy-2-piperidin-1-ylsulfonyl-phenyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[4-methoxy-2-(1-piperidylsulfonyl)phenyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[4-methoxy-2-(1-piperidinylsulfonyl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4-methoxy-2-piperidinosulfonyl-phenyl)-2-(2-thienyl)cinchoninamide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H25N3O4S2/c1-33-18-11-12-22(25(16-18)35(31,32)29-13-5-2-6-14-29)28-26(30)20-17-23(24-10-7-15-34-24)27-21-9-4-3-8-19(20)21/h3-4,7-12,15-17H,2,5-6,13-14H2,1H3,(H,28,30)