1-(4-bromanyl-3-methoxy-phenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(4-bromanyl-3-methoxy-phenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(4-bromo-3-methoxy-phenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(4-bromo-3-methoxy-phenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C18H18BrF3N2O3S MolecularWeight: 479.31133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Br

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Br

InChI

InChI=1S/C18H18BrF3N2O3S/c1-27-17-12-15(5-6-16(17)19)28(25,26)24-9-7-23(8-10-24)14-4-2-3-13(11-14)18(20,21)22/h2-6,11-12H,7-10H2,1H3