N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanediamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanediamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide Traditional Name: N-homoveratryl-N'-(1-mesyl-3,4-dihydro-2H-quinolin-7-yl)oxamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(=O)NC2=CC3=C(CCCN3S(=O)(=O)C)C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C(=O)NC2=CC3=C(CCCN3S(=O)(=O)C)C=C2)OC

InChI

InChI=1S/C22H27N3O6S/c1-30-19-9-6-15(13-20(19)31-2)10-11-23-21(26)22(27)24-17-8-7-16-5-4-12-25(18(16)14-17)32(3,28)29/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,23,26)(H,24,27)