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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

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