tert-butyl 2-[4-(4-iodophenyl)sulfonylpiperidin-4-yl]-2-(2-oxidanylidenepiperazin-1-yl)ethanoate

Systemtic Name: tert-butyl 2-[4-(4-iodophenyl)sulfonylpiperidin-4-yl]-2-(2-oxidanylidenepiperazin-1-yl)ethanoate Openeye Name: tert-butyl 2-[4-(4-iodophenyl)sulfonyl-4-piperidyl]-2-(2-oxopiperazin-1-yl)acetate CAS Name: 2-[4-(4-iodophenyl)sulfonyl-4-piperidinyl]-2-(2-oxo-1-piperazinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-iodophenyl)sulfonylpiperidin-4-yl]-2-(2-oxopiperazin-1-yl)acetate Traditional Name: 2-[4-(4-iodophenyl)sulfonyl-4-piperidyl]-2-(2-ketopiperazino)acetic acid tert-butyl ester Formula: C21H30IN3O5S MolecularWeight: 563.44947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1(CCNCC1)S(=O)(=O)C2=CC=C(C=C2)I)N3CCNCC3=O

Isomeric SMILES

CC(C)(C)OC(=O)C(C1(CCNCC1)S(=O)(=O)C2=CC=C(C=C2)I)N3CCNCC3=O

InChI

InChI=1S/C21H30IN3O5S/c1-20(2,3)30-19(27)18(25-13-12-24-14-17(25)26)21(8-10-23-11-9-21)31(28,29)16-6-4-15(22)5-7-16/h4-7,18,23-24H,8-14H2,1-3H3