tert-butyl 2-[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-piperidin-4-yl-ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-piperidin-4-yl-ethanoate Openeye Name: tert-butyl 2-[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxo-piperazin-1-yl]-2-(4-piperidyl)acetate CAS Name: 2-[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxo-1-piperazinyl]-2-(4-piperidinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(hydroxymethyl)phenyl]sulfonyl-2-oxopiperazin-1-yl]-2-piperidin-4-ylacetate Traditional Name: 2-[2-keto-4-(4-methylolphenyl)sulfonyl-piperazino]-2-(4-piperidyl)acetic acid tert-butyl ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1CCNCC1)N2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)C(C1CCNCC1)N2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)CO

InChI

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