tert-butyl 2-[4-(3-bromophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-piperidin-4-yl-ethanoate

Systemtic Name: tert-butyl 2-[4-(3-bromophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-piperidin-4-yl-ethanoate Openeye Name: tert-butyl 2-[4-(3-bromophenyl)sulfonyl-2-oxo-piperazin-1-yl]-2-(4-piperidyl)acetate CAS Name: 2-[4-(3-bromophenyl)sulfonyl-2-oxo-1-piperazinyl]-2-(4-piperidinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-bromophenyl)sulfonyl-2-oxopiperazin-1-yl]-2-piperidin-4-ylacetate Traditional Name: 2-[4-(3-bromophenyl)sulfonyl-2-keto-piperazino]-2-(4-piperidyl)acetic acid tert-butyl ester Formula: C21H30BrN3O5S MolecularWeight: 516.449

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H30BrN3O5S/c1-21(2,3)30-20(27)19(15-7-9-23-10-8-15)25-12-11-24(14-18(25)26)31(28,29)17-6-4-5-16(22)13-17/h4-6,13,15,19,23H,7-12,14H2,1-3H3