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

Systemtic Name: methyl 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O6S/c1-12-17(13(2)28-21-12)29(25,26)22-10-8-14(9-11-22)18(23)20-16-6-4-15(5-7-16)19(24)27-3/h4-7,14H,8-11H2,1-3H3,(H,20,23)