N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylsulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylsulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-morpholinosulfonyl-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinylsulfonyl)-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: 6-morpholinosulfonyl-N-piperonyl-2-(2-pyridyl)cinchoninamide Formula: C27H24N4O6S MolecularWeight: 532.56766

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=N6

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC5=C(C=C4)OCO5)C6=CC=CC=N6

InChI

InChI=1S/C27H24N4O6S/c32-27(29-16-18-4-7-25-26(13-18)37-17-36-25)21-15-24(23-3-1-2-8-28-23)30-22-6-5-19(14-20(21)22)38(33,34)31-9-11-35-12-10-31/h1-8,13-15H,9-12,16-17H2,(H,29,32)