tert-butyl 4-[[4-(5-bromanylthiophen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(5-bromanylthiophen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(5-bromo-2-thienyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(5-bromothiophen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[(5-bromo-2-thienyl)sulfonyl]-2-keto-piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H28BrN3O5S2 MolecularWeight: 522.47672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H28BrN3O5S2/c1-19(2,3)28-18(25)21-8-6-14(7-9-21)12-22-10-11-23(13-16(22)24)30(26,27)17-5-4-15(20)29-17/h4-5,14H,6-13H2,1-3H3