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

Systemtic Name: butyl 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S/c1-4-5-13-30-22(27)17-8-10-19(11-9-17)23-21(26)18-7-6-12-25(14-18)32(28,29)20-15(2)24-31-16(20)3/h8-11,18H,4-7,12-14H2,1-3H3,(H,23,26)