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

Systemtic Name: tert-butyl 2-[4-[4-(bromomethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-piperidin-4-yl-ethanoate Openeye Name: tert-butyl 2-[4-[4-(bromomethyl)phenyl]sulfonyl-2-oxo-piperazin-1-yl]-2-(4-piperidyl)acetate CAS Name: 2-[4-[4-(bromomethyl)phenyl]sulfonyl-2-oxo-1-piperazinyl]-2-(4-piperidinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(bromomethyl)phenyl]sulfonyl-2-oxopiperazin-1-yl]-2-piperidin-4-ylacetate Traditional Name: 2-[4-[4-(bromomethyl)phenyl]sulfonyl-2-keto-piperazino]-2-(4-piperidyl)acetic acid tert-butyl ester Formula: C22H32BrN3O5S MolecularWeight: 530.47558

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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)CBr

Isomeric SMILES

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

InChI

InChI=1S/C22H32BrN3O5S/c1-22(2,3)31-21(28)20(17-8-10-24-11-9-17)26-13-12-25(15-19(26)27)32(29,30)18-6-4-16(14-23)5-7-18/h4-7,17,20,24H,8-15H2,1-3H3