N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-ylsulfonyl-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-ylsulfonyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholinosulfonyl-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-morpholinylsulfonyl)-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-homoveratryl-6-morpholinosulfonyl-2-(4-pyridyl)cinchoninamide Formula: C29H30N4O6S MolecularWeight: 562.6367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=NC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=NC=C5)OC

InChI

InChI=1S/C29H30N4O6S/c1-37-27-6-3-20(17-28(27)38-2)7-12-31-29(34)24-19-26(21-8-10-30-11-9-21)32-25-5-4-22(18-23(24)25)40(35,36)33-13-15-39-16-14-33/h3-6,8-11,17-19H,7,12-16H2,1-2H3,(H,31,34)