[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

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