methyl 2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-methyl-propanoate CAS Name: 2-[[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-methylpropanoate Traditional Name: 2-[[(3S)-1-brosylnipecotoyl]amino]-2-methyl-propionic acid methyl ester Formula: C17H23BrN2O5S MolecularWeight: 447.34392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H23BrN2O5S/c1-17(2,16(22)25-3)19-15(21)12-5-4-10-20(11-12)26(23,24)14-8-6-13(18)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,21)/t12-/m0/s1