[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C20H22ClN3O6S2 MolecularWeight: 499.98818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H22ClN3O6S2/c21-15-3-5-16(6-4-15)32(28,29)22-8-7-19(26)30-14-18(25)23-9-11-24(12-10-23)20(27)17-2-1-13-31-17/h1-6,13,22H,7-12,14H2