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

Systemtic Name: (3S)-N'-(3-chlorophenyl)carbonyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Openeye Name: (3S)-N'-(3-chlorobenzoyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide CAS Name: (3S)-N'-[(3-chlorophenyl)-oxomethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide IUPAC Name: (3S)-N'-(3-chlorobenzoyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Traditional Name: (3S)-N'-(3-chlorobenzoyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NNC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H20ClN3O4S/c1-2-28(26,27)23-12-15-7-4-3-6-13(15)11-17(23)19(25)22-21-18(24)14-8-5-9-16(20)10-14/h3-10,17H,2,11-12H2,1H3,(H,21,24)(H,22,25)/t17-/m0/s1