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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N'-[2-(3-methylphenoxy)ethanoyl]benzohydrazide Openeye Name: 4-(azepan-1-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide CAS Name: 4-(1-azepanylsulfonyl)-N'-[2-(3-methylphenoxy)-1-oxoethyl]benzohydrazide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide Traditional Name: 4-(azepan-1-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O5S/c1-17-7-6-8-19(15-17)30-16-21(26)23-24-22(27)18-9-11-20(12-10-18)31(28,29)25-13-4-2-3-5-14-25/h6-12,15H,2-5,13-14,16H2,1H3,(H,23,26)(H,24,27)