[2-[2-(3-morpholin-4-ylsulfonylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[2-(3-morpholin-4-ylsulfonylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[2-(3-morpholinosulfonylbenzoyl)hydrazino]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-[N'-(3-morpholinosulfonylbenzoyl)hydrazino]ethyl] ester Formula: C21H22N4O9S2 MolecularWeight: 538.55078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O9S2/c1-35-18-6-5-15(12-17(18)25(29)30)21(28)34-13-19(26)22-23-20(27)14-3-2-4-16(11-14)36(31,32)24-7-9-33-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)(H,23,27)