[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C15H21N3O7S2 MolecularWeight: 419.47314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H21N3O7S2/c1-11-3-4-12(27(16,23)24)9-13(11)15(20)25-10-14(19)17-5-7-18(8-6-17)26(2,21)22/h3-4,9H,5-8,10H2,1-2H3,(H2,16,23,24)