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

Systemtic Name: tert-butyl 2-[4-(6-bromanylnaphthalen-2-yl)sulfanylphenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 2-[4-[(6-bromo-2-naphthyl)sulfanyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 2-[4-[(6-bromo-2-naphthalenyl)thio]phenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(6-bromonaphthalen-2-yl)sulfanylphenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 2-[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)N1CCNCC1S(=O)(=O)C2=CC=C(C=C2)SC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNCC1S(=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)28-13-12-27-16-23(28)34(30,31)22-10-8-20(9-11-22)33-21-7-5-17-14-19(26)6-4-18(17)15-21/h4-11,14-15,23,27H,12-13,16H2,1-3H3