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

Systemtic Name: propyl 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylnipecotoyl]amino]benzoic acid propyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C21H27N3O6S/c1-4-12-29-21(26)16-7-9-18(10-8-16)22-20(25)17-6-5-11-24(13-17)31(27,28)19-14(2)23-30-15(19)3/h7-10,17H,4-6,11-13H2,1-3H3,(H,22,25)