methyl 2-[3-oxidanylidene-1-(4-sulfamoylphenyl)sulfonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-(4-sulfamoylphenyl)sulfonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-(4-sulfamoylphenyl)sulfonyl-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-(4-sulfamoylphenyl)sulfonyl-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-(4-sulfamoylphenyl)sulfonylpiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(4-sulfamoylphenyl)sulfonyl-piperazin-2-yl]acetic acid methyl ester Formula: C13H17N3O7S2 MolecularWeight: 391.41998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C13H17N3O7S2/c1-23-12(17)8-11-13(18)15-6-7-16(11)25(21,22)10-4-2-9(3-5-10)24(14,19)20/h2-5,11H,6-8H2,1H3,(H,15,18)(H2,14,19,20)