methyl 2-[(2S)-1-(5-bromanyl-2-methyl-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-(5-bromanyl-2-methyl-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-(5-bromo-2-methyl-phenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-(5-bromo-2-methylphenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-(5-bromo-2-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(5-bromo-2-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=C(C=C1)Br)S(=O)(=O)N2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O5S/c1-9-3-4-10(15)7-12(9)23(20,21)17-6-5-16-14(19)11(17)8-13(18)22-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,19)/t11-/m0/s1