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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(3,4-dimethylphenoxy)ethanoyl]benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-N'-[2-(3,4-dimethylphenoxy)-1-oxoethyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-17-10-11-20(14-18(17)2)31-16-22(27)24-25-23(28)19-8-7-9-21(15-19)32(29,30)26-12-5-3-4-6-13-26/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,24,27)(H,25,28)