[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C22H25ClFN3O5S MolecularWeight: 497.967403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClFN3O5S/c23-18-5-3-6-19(14-18)33(30,31)25-9-8-22(29)32-16-21(28)27-12-10-26(11-13-27)15-17-4-1-2-7-20(17)24/h1-7,14,25H,8-13,15-16H2