(5-methyl-1,2-oxazol-3-yl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H19ClN2O5S/c1-12-9-14(19-25-12)11-24-17(21)13-5-6-15(18)16(10-13)26(22,23)20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8,11H2,1H3