tert-butyl 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetate CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-(4-brosylpiperazino)acetic acid tert-butyl ester Formula: C16H23BrN2O4S MolecularWeight: 419.33382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN2O4S/c1-16(2,3)23-15(20)12-18-8-10-19(11-9-18)24(21,22)14-6-4-13(17)5-7-14/h4-7H,8-12H2,1-3H3