[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C22H28N5O6S+ MolecularWeight: 490.55262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H27N5O6S/c1-16(25-34(31,32)19-8-6-18(7-9-19)24-17(2)28)22(30)33-15-21(29)27-13-11-26(12-14-27)20-5-3-4-10-23-20/h3-10,16,25H,11-15H2,1-2H3,(H,24,28)/p+1/t16-/m0/s1