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

Systemtic Name: methyl 2-[1-(2-bromanyl-4-methyl-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(2-bromo-4-methyl-phenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(2-bromo-4-methylphenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-bromo-4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-bromo-4-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=CC(=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O5S/c1-9-3-4-12(10(15)7-9)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)