2-methylpropyl 2-oxidanylidene-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate

Systemtic Name: 2-methylpropyl 2-oxidanylidene-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate Openeye Name: isobutyl 2-oxo-5-(1-piperidylsulfonyl)-1,3-benzoxazole-3-carboxylate CAS Name: 2-oxo-5-(1-piperidinylsulfonyl)-1,3-benzoxazole-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-oxo-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-3-carboxylate Traditional Name: 2-keto-5-piperidinosulfonyl-1,3-benzoxazole-3-carboxylic acid isobutyl ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC1=O

Isomeric SMILES

CC(C)COC(=O)N1C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC1=O

InChI

InChI=1S/C17H22N2O6S/c1-12(2)11-24-16(20)19-14-10-13(6-7-15(14)25-17(19)21)26(22,23)18-8-4-3-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3