[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-2-20(18-9-5-3-6-10-18)22(26)29-17-21(25)23-13-15-24(16-14-23)30(27,28)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3/t20-/m1/s1