3-(azepan-1-ylsulfonyl)-N'-[2-(2-methylphenoxy)ethanoyl]benzohydrazide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(2-methylphenoxy)ethanoyl]benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-N'-[2-(2-methylphenoxy)-1-oxoethyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O5S/c1-17-9-4-5-12-20(17)30-16-21(26)23-24-22(27)18-10-8-11-19(15-18)31(28,29)25-13-6-2-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,23,26)(H,24,27)