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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-(4-propan-2-yloxyphenyl)carbonyl-benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(4-isopropoxybenzoyl)benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N'-[oxo-(4-propan-2-yloxyphenyl)methyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(4-isopropoxybenzoyl)benzohydrazide Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28ClN3O5S/c1-16(2)32-19-10-7-17(8-11-19)22(28)25-26-23(29)18-9-12-20(24)21(15-18)33(30,31)27-13-5-3-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,28)(H,26,29)