ethyl 3-oxidanylidene-3-[4-[2-(phenylsulfonyl)ethyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-[4-[2-(phenylsulfonyl)ethyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]propanoate Openeye Name: ethyl 3-[4-[2-(benzenesulfonyl)ethyl]-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[2-(benzenesulfonyl)ethyl]-2-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(benzenesulfonyl)ethyl]-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-[4-(2-besylethyl)-2-(pyrrolidine-1-carbonyl)piperazino]-3-keto-propionic acid ethyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1CCN(CC1C(=O)N2CCCC2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)N1CCN(CC1C(=O)N2CCCC2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O6S/c1-2-31-21(27)16-20(26)25-13-12-23(17-19(25)22(28)24-10-6-7-11-24)14-15-32(29,30)18-8-4-3-5-9-18/h3-5,8-9,19H,2,6-7,10-17H2,1H3