N'-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]ethanoyl]benzohydrazide

Systemtic Name: N'-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]ethanoyl]benzohydrazide Openeye Name: N'-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]acetyl]benzohydrazide CAS Name: N'-[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-1-oxoethyl]benzohydrazide IUPAC Name: N'-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]acetyl]benzohydrazide Traditional Name: N'-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]acetyl]benzohydrazide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NNC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5S/c1-31-20-12-11-18(32(29,30)26-13-7-2-3-8-14-26)15-19(20)23-16-21(27)24-25-22(28)17-9-5-4-6-10-17/h4-6,9-12,15,23H,2-3,7-8,13-14,16H2,1H3,(H,24,27)(H,25,28)