(3S)-N'-(5-chloranyl-2-methoxy-phenyl)carbonyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide

Systemtic Name: (3S)-N'-(5-chloranyl-2-methoxy-phenyl)carbonyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Openeye Name: (3S)-N'-(5-chloro-2-methoxy-benzoyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide CAS Name: (3S)-N'-[(5-chloro-2-methoxyphenyl)-oxomethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide IUPAC Name: (3S)-N'-(5-chloro-2-methoxybenzoyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Traditional Name: (3S)-N'-(5-chloro-2-methoxy-benzoyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5S/c1-3-30(27,28)24-12-14-7-5-4-6-13(14)10-17(24)20(26)23-22-19(25)16-11-15(21)8-9-18(16)29-2/h4-9,11,17H,3,10,12H2,1-2H3,(H,22,25)(H,23,26)/t17-/m0/s1