1-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine

Systemtic Name: 1-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine Openeye Name: 1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-4-[(4-tert-butylphenyl)methyl]piperazine CAS Name: 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-[(4-tert-butylphenyl)methyl]piperazine IUPAC Name: 1-(5-bromo-6-chloropyridin-3-yl)sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine Traditional Name: 1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-4-(4-tert-butylbenzyl)piperazine Formula: C20H25BrClN3O2S MolecularWeight: 486.8534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br

InChI

InChI=1S/C20H25BrClN3O2S/c1-20(2,3)16-6-4-15(5-7-16)14-24-8-10-25(11-9-24)28(26,27)17-12-18(21)19(22)23-13-17/h4-7,12-13H,8-11,14H2,1-3H3