tert-butyl 4-[[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxo-piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[2-keto-4-(4-methylolphenyl)sulfonyl-piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)CO

InChI

InChI=1S/C22H33N3O6S/c1-22(2,3)31-21(28)23-10-8-17(9-11-23)14-24-12-13-25(15-20(24)27)32(29,30)19-6-4-18(16-26)5-7-19/h4-7,17,26H,8-16H2,1-3H3