[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C14H21N3O7S3 MolecularWeight: 439.52744

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C14H21N3O7S3/c1-26(20,21)17-8-6-16(7-9-17)12(18)11-24-13(19)4-5-15-27(22,23)14-3-2-10-25-14/h2-3,10,15H,4-9,11H2,1H3