N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 6-(3,5-dimethylpiperidino)sulfonyl-N-homoveratryl-4-keto-1H-quinoline-3-carboxamide Formula: C27H33N3O6S MolecularWeight: 527.63242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C27H33N3O6S/c1-17-11-18(2)16-30(15-17)37(33,34)20-6-7-23-21(13-20)26(31)22(14-29-23)27(32)28-10-9-19-5-8-24(35-3)25(12-19)36-4/h5-8,12-14,17-18H,9-11,15-16H2,1-4H3,(H,28,32)(H,29,31)