4-azanyl-6-chloranyl-N'-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-quinoline-3-carbohydrazide

Systemtic Name: 4-azanyl-6-chloranyl-N'-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-quinoline-3-carbohydrazide Openeye Name: 4-amino-6-chloro-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)quinoline-3-carbohydrazide CAS Name: 4-amino-6-chloro-N'-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3-quinolinecarbohydrazide IUPAC Name: 4-amino-6-chloro-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)quinoline-3-carbohydrazide Traditional Name: 4-amino-6-chloro-N'-(3-pyrrolidinosulfonylbenzoyl)quinoline-3-carbohydrazide Formula: C21H20ClN5O4S MolecularWeight: 473.9326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CN=C4C=CC(=CC4=C3N)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CN=C4C=CC(=CC4=C3N)Cl

InChI

InChI=1S/C21H20ClN5O4S/c22-14-6-7-18-16(11-14)19(23)17(12-24-18)21(29)26-25-20(28)13-4-3-5-15(10-13)32(30,31)27-8-1-2-9-27/h3-7,10-12H,1-2,8-9H2,(H2,23,24)(H,25,28)(H,26,29)