N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)carbonyl-3,4-dihydro-2H-quinoline-6-sulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)carbonyl-3,4-dihydro-2H-quinoline-6-sulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)-oxomethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide Traditional Name: 1-(4-fluorobenzoyl)-N-homoveratryl-3,4-dihydro-2H-quinoline-6-sulfonamide Formula: C26H27FN2O5S MolecularWeight: 498.566383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C26H27FN2O5S/c1-33-24-12-5-18(16-25(24)34-2)13-14-28-35(31,32)22-10-11-23-20(17-22)4-3-15-29(23)26(30)19-6-8-21(27)9-7-19/h5-12,16-17,28H,3-4,13-15H2,1-2H3