3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-(2-fluorophenyl)carbonyl-benzohydrazide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-(2-fluorophenyl)carbonyl-benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(2-fluorobenzoyl)benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N'-[(2-fluorophenyl)-oxomethyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(2-fluorobenzoyl)benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(2-fluorobenzoyl)benzohydrazide Formula: C20H21ClFN3O4S MolecularWeight: 453.914843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C20H21ClFN3O4S/c21-16-10-9-14(13-18(16)30(28,29)25-11-5-1-2-6-12-25)19(26)23-24-20(27)15-7-3-4-8-17(15)22/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,23,26)(H,24,27)