1-methylsulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: 1-methylsulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: 1-methylsulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-(2,4,5-trimethoxybenzyl)-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C21H26N2O6S/c1-27-18-12-20(29-3)19(28-2)11-16(18)13-22-21(24)15-7-8-17-14(10-15)6-5-9-23(17)30(4,25)26/h7-8,10-12H,5-6,9,13H2,1-4H3,(H,22,24)