ethyl 4-[4-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1S)-1-(2-chlorophenyl)-2-keto-2-methoxy-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@@H](C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C22H25ClN2O6S/c1-3-31-21(26)16-8-10-17(11-9-16)32(28,29)25-14-12-24(13-15-25)20(22(27)30-2)18-6-4-5-7-19(18)23/h4-11,20H,3,12-15H2,1-2H3/t20-/m0/s1