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

Systemtic Name: ethyl 4-[[(3S)-1-methylsulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(3S)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-methylsulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-mesylnipecotoyl]amino]benzoic acid ethyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-3-23-16(20)12-6-8-14(9-7-12)17-15(19)13-5-4-10-18(11-13)24(2,21)22/h6-9,13H,3-5,10-11H2,1-2H3,(H,17,19)/t13-/m0/s1