N'-(3,4-dimethoxyphenyl)carbonyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide

Systemtic Name: N'-(3,4-dimethoxyphenyl)carbonyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Openeye Name: N'-(3,4-dimethoxybenzoyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide CAS Name: N'-[(3,4-dimethoxyphenyl)-oxomethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide IUPAC Name: N'-(3,4-dimethoxybenzoyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Traditional Name: 2-esyl-N'-veratroyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O6S/c1-4-31(27,28)24-13-16-8-6-5-7-14(16)11-17(24)21(26)23-22-20(25)15-9-10-18(29-2)19(12-15)30-3/h5-10,12,17H,4,11,13H2,1-3H3,(H,22,25)(H,23,26)