(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O5S/c1-13(2)17-19-16(26-20-17)12-25-18(22)14-8-10-21(11-9-14)27(23,24)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3