tert-butyl 4-(4-oxidanylidenepiperidin-1-yl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: tert-butyl 4-(4-oxidanylidenepiperidin-1-yl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: tert-butyl 1-benzyl-4-[(4-oxo-1-piperidyl)sulfonyl]piperidine-4-carboxylate CAS Name: 4-[(4-oxo-1-piperidinyl)sulfonyl]-1-(phenylmethyl)-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-4-(4-oxopiperidin-1-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-benzyl-4-(4-ketopiperidino)sulfonyl-isonipecotic acid tert-butyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)N3CCC(=O)CC3

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)N3CCC(=O)CC3

InChI

InChI=1S/C22H32N2O5S/c1-21(2,3)29-20(26)22(30(27,28)24-13-9-19(25)10-14-24)11-15-23(16-12-22)17-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3