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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-(4-fluorophenyl)carbonyl-benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(4-fluorobenzoyl)benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N'-[(4-fluorophenyl)-oxomethyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(4-fluorobenzoyl)benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(4-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=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN3O4S/c21-17-10-7-15(13-18(17)30(28,29)25-11-3-1-2-4-12-25)20(27)24-23-19(26)14-5-8-16(22)9-6-14/h5-10,13H,1-4,11-12H2,(H,23,26)(H,24,27)