N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide

Systemtic Name: N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Openeye Name: N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide CAS Name: N'-[2-(2,3-dimethylphenoxy)-1-oxopropyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide IUPAC Name: N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Traditional Name: N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Formula: C23H29N3O5S MolecularWeight: 459.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C(C)OC3=CC=CC(=C3C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C(C)OC3=CC=CC(=C3C)C

InChI

InChI=1S/C23H29N3O5S/c1-5-32(29,30)26-14-19-11-7-6-10-18(19)13-20(26)23(28)25-24-22(27)17(4)31-21-12-8-9-15(2)16(21)3/h6-12,17,20H,5,13-14H2,1-4H3,(H,24,27)(H,25,28)