ethyl 2-[4-(phenylsulfonylcarbamoyl)-3-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(phenylsulfonylcarbamoyl)-3-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(benzenesulfonylcarbamoyl)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate CAS Name: 2-[4-[benzenesulfonamido(oxo)methyl]-3-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonylcarbamoyl)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-[4-(besylcarbamoyl)-3-(pyrrolidine-1-carbonyl)piperazino]acetic acid ethyl ester Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)C(=O)N2CCCC2)C(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1CCN(C(C1)C(=O)N2CCCC2)C(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O6S/c1-2-30-18(25)15-22-12-13-24(17(14-22)19(26)23-10-6-7-11-23)20(27)21-31(28,29)16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15H2,1H3,(H,21,27)