tert-butyl 4-[4-(6-bromanylnaphthalen-2-yl)sulfanylphenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(6-bromanylnaphthalen-2-yl)sulfanylphenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(6-bromo-2-naphthyl)sulfanyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(6-bromo-2-naphthalenyl)thio]phenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(6-bromonaphthalen-2-yl)sulfanylphenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(6-bromo-2-naphthyl)thio]phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C25H27BrN2O4S2 MolecularWeight: 563.52688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C25H27BrN2O4S2/c1-25(2,3)32-24(29)27-12-14-28(15-13-27)34(30,31)23-10-8-21(9-11-23)33-22-7-5-18-16-20(26)6-4-19(18)17-22/h4-11,16-17H,12-15H2,1-3H3