[2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazino]ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]hydrazo]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-keto-2-[N'-(2-thenoyl)hydrazino]ethyl] ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)NNC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)NNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O7S2/c1-30-17-9-8-15(33(28,29)24-10-4-2-3-5-11-24)13-16(17)21(27)31-14-19(25)22-23-20(26)18-7-6-12-32-18/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,22,25)(H,23,26)