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

Systemtic Name: ethyl 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C20H25N3O6S/c1-4-28-20(25)16-6-5-7-17(12-16)21-19(24)15-8-10-23(11-9-15)30(26,27)18-13(2)22-29-14(18)3/h5-7,12,15H,4,8-11H2,1-3H3,(H,21,24)