[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C18H26N4O8S2 MolecularWeight: 490.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H26N4O8S2/c1-13(20-32(28,29)16-6-4-15(5-7-16)19-14(2)23)18(25)30-12-17(24)21-8-10-22(11-9-21)31(3,26)27/h4-7,13,20H,8-12H2,1-3H3,(H,19,23)