methyl 4-[[(3S)-1-methylsulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3S)-1-methylsulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3S)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-methylsulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-mesylnipecotoyl]amino]benzoic acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C15H20N2O5S/c1-22-15(19)11-5-7-13(8-6-11)16-14(18)12-4-3-9-17(10-12)23(2,20)21/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,18)/t12-/m0/s1