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

Systemtic Name: tert-butyl 2-[4-[4-[(E)-2-chloranylethenyl]phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-piperidin-4-yl-ethanoate Openeye Name: tert-butyl 2-[4-[4-[(E)-2-chlorovinyl]phenyl]sulfonyl-2-oxo-piperazin-1-yl]-2-(4-piperidyl)acetate CAS Name: 2-[4-[4-[(E)-2-chloroethenyl]phenyl]sulfonyl-2-oxo-1-piperazinyl]-2-(4-piperidinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-[(E)-2-chloroethenyl]phenyl]sulfonyl-2-oxopiperazin-1-yl]-2-piperidin-4-ylacetate Traditional Name: 2-[4-[4-[(E)-2-chlorovinyl]phenyl]sulfonyl-2-keto-piperazino]-2-(4-piperidyl)acetic acid tert-butyl ester Formula: C23H32ClN3O5S MolecularWeight: 498.03528

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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)C=CCl

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN3O5S/c1-23(2,3)32-22(29)21(18-9-12-25-13-10-18)27-15-14-26(16-20(27)28)33(30,31)19-6-4-17(5-7-19)8-11-24/h4-8,11,18,21,25H,9-10,12-16H2,1-3H3/b11-8+