[2-[2-(4-methoxyphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-[2-(4-methoxyphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-[2-(4-methoxybenzoyl)hydrazino]-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-[[(4-methoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-keto-2-(N'-p-anisoylhydrazino)ethyl] ester Formula: C24H29N3O8S MolecularWeight: 519.56736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H29N3O8S/c1-33-18-9-7-17(8-10-18)23(29)26-25-22(28)16-35-24(30)20-15-19(11-12-21(20)34-2)36(31,32)27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,25,28)(H,26,29)