[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(phenylsulfonylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(phenylsulfonylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(benzenesulfonamido)propanoate CAS Name: 2-(benzenesulfonamido)propanoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(benzenesulfonamido)propanoate Traditional Name: 2-(benzenesulfonamido)propionic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-17(23-31(28,29)20-11-7-4-8-12-20)22(27)30-18(2)21(26)25-15-13-24(14-16-25)19-9-5-3-6-10-19/h3-12,17-18,23H,13-16H2,1-2H3