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

Systemtic Name: methyl 3-[2-morpholin-4-ylcarbonyl-4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[2-(benzenesulfonyl)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[2-(benzenesulfonyl)ethyl]-2-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(benzenesulfonyl)ethyl]-2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-[4-(2-besylethyl)-2-(morpholine-4-carbonyl)piperazino]-3-keto-propionic acid methyl ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)N1CCN(CC1C(=O)N2CCOCC2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(=O)N1CCN(CC1C(=O)N2CCOCC2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O7S/c1-30-20(26)15-19(25)24-8-7-22(11-14-32(28,29)17-5-3-2-4-6-17)16-18(24)21(27)23-9-12-31-13-10-23/h2-6,18H,7-16H2,1H3