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

Systemtic Name: N'-(4-ethoxy-3-methoxy-phenyl)carbonyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Openeye Name: N'-(4-ethoxy-3-methoxy-benzoyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide CAS Name: N'-[(4-ethoxy-3-methoxyphenyl)-oxomethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide IUPAC Name: N'-(4-ethoxy-3-methoxybenzoyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Traditional Name: 2-esyl-N'-(4-ethoxy-3-methoxy-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC)OC

InChI

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