(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C19H23ClN2O5S MolecularWeight: 426.91432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C(ON=C3C)C)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C(ON=C3C)C)Cl

InChI

InChI=1S/C19H23ClN2O5S/c1-12-5-4-8-22(10-12)28(24,25)18-9-15(6-7-17(18)20)19(23)26-11-16-13(2)21-27-14(16)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3