(5-methyl-1,2-oxazol-3-yl)methyl 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 3-[(4-benzyl-1-piperidyl)sulfonyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorobenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonyl-4-chloro-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C24H25ClN2O5S MolecularWeight: 488.9837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25ClN2O5S/c1-17-13-21(26-32-17)16-31-24(28)20-7-8-22(25)23(15-20)33(29,30)27-11-9-19(10-12-27)14-18-5-3-2-4-6-18/h2-8,13,15,19H,9-12,14,16H2,1H3