methyl 2-[(3S)-3-aminocarbonylpiperidin-1-yl]sulfonyl-5-bromanyl-benzoate

Systemtic Name: methyl 2-[(3S)-3-aminocarbonylpiperidin-1-yl]sulfonyl-5-bromanyl-benzoate Openeye Name: methyl 5-bromo-2-[[(3S)-3-carbamoyl-1-piperidyl]sulfonyl]benzoate CAS Name: 5-bromo-2-[[(3S)-3-carbamoyl-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(3S)-3-carbamoylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 5-bromo-2-[(3S)-3-carbamoylpiperidino]sulfonyl-benzoic acid methyl ester Formula: C14H17BrN2O5S MolecularWeight: 405.26418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCC(C2)C(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C14H17BrN2O5S/c1-22-14(19)11-7-10(15)4-5-12(11)23(20,21)17-6-2-3-9(8-17)13(16)18/h4-5,7,9H,2-3,6,8H2,1H3,(H2,16,18)/t9-/m0/s1