N-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-1-cyclohexa-1,5-dien-1-ylsulfonyl-methanamide

Systemtic Name: N-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-1-cyclohexa-1,5-dien-1-ylsulfonyl-methanamide Openeye Name: N-[[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]phenyl]methyl]-1-cyclohexa-1,5-dien-1-ylsulfonyl-formamide CAS Name: N-[[3-[6-(2-cyanopropan-2-yl)-8-quinolinyl]phenyl]methyl]-1-(1-cyclohexa-1,5-dienylsulfonyl)formamide IUPAC Name: N-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-1-cyclohexa-1,5-dien-1-ylsulfonylformamide Traditional Name: N-[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]benzyl]-1-cyclohexa-1,5-dien-1-ylsulfonyl-formamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CNC(=O)S(=O)(=O)C4=CCCC=C4

Isomeric SMILES

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CNC(=O)S(=O)(=O)C4=CCCC=C4

InChI

InChI=1S/C27H25N3O3S/c1-27(2,18-28)22-15-21-10-7-13-29-25(21)24(16-22)20-9-6-8-19(14-20)17-30-26(31)34(32,33)23-11-4-3-5-12-23/h4,6-16H,3,5,17H2,1-2H3,(H,30,31)