methyl 7-[[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]heptanoate CAS Name: 7-[[[1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]heptanoate Traditional Name: 7-[(1-brosylnipecotoyl)amino]enanthic acid methyl ester Formula: C20H29BrN2O5S MolecularWeight: 489.42366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H29BrN2O5S/c1-28-19(24)8-4-2-3-5-13-22-20(25)16-7-6-14-23(15-16)29(26,27)18-11-9-17(21)10-12-18/h9-12,16H,2-8,13-15H2,1H3,(H,22,25)