methyl 2-chloranyl-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[(3S)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 2-chloro-5-[[[(3S)-1-methylsulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[(3S)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 2-chloro-5-[[(3S)-1-mesylnipecotoyl]amino]benzoic acid methyl ester Formula: C15H19ClN2O5S MolecularWeight: 374.83976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O5S/c1-23-15(20)12-8-11(5-6-13(12)16)17-14(19)10-4-3-7-18(9-10)24(2,21)22/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m0/s1