[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C18H21N3O7S3 MolecularWeight: 487.57024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CNS(=O)(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CNS(=O)(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O7S3/c22-16(14-28-17(23)13-19-30(24,25)18-7-4-12-29-18)20-8-10-21(11-9-20)31(26,27)15-5-2-1-3-6-15/h1-7,12,19H,8-11,13-14H2