methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-brosyl-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C13H15BrN2O5S MolecularWeight: 391.2376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN2O5S/c1-21-12(17)8-11-13(18)15-6-7-16(11)22(19,20)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,18)/t11-/m1/s1