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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-(4-ethoxyphenyl)carbonyl-benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(4-ethoxybenzoyl)benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N'-[(4-ethoxyphenyl)-oxomethyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(4-ethoxybenzoyl)benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(4-ethoxybenzoyl)benzohydrazide Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26ClN3O5S/c1-2-31-18-10-7-16(8-11-18)21(27)24-25-22(28)17-9-12-19(23)20(15-17)32(29,30)26-13-5-3-4-6-14-26/h7-12,15H,2-6,13-14H2,1H3,(H,24,27)(H,25,28)