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

Systemtic Name: methyl 2-[(2R)-1-(4-bromanyl-3-methyl-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-(4-bromo-3-methyl-phenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(4-bromo-3-methyl-phenyl)sulfonyl-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C14H17BrN2O5S MolecularWeight: 405.26418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)OC)Br

InChI

InChI=1S/C14H17BrN2O5S/c1-9-7-10(3-4-11(9)15)23(20,21)17-6-5-16-14(19)12(17)8-13(18)22-2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)/t12-/m1/s1