[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H32N3O5S+ MolecularWeight: 474.59298

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C24H31N3O5S/c1-5-26-12-14-27(15-13-26)23(28)19(4)32-24(29)20-7-9-21(10-8-20)25-33(30,31)22-11-6-17(2)18(3)16-22/h6-11,16,19,25H,5,12-15H2,1-4H3/p+1/t19-/m0/s1