1-[4,4-bis(4-fluorophenyl)butyl]-4-(5-bromanyl-2-methoxy-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(5-bromanyl-2-methoxy-phenyl)sulfonyl-piperazine Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(5-bromo-2-methoxy-phenyl)sulfonyl-piperazine CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(5-bromo-2-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(5-bromo-2-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(5-bromo-2-methoxy-phenyl)sulfonyl-piperazine Formula: C27H29BrF2N2O3S MolecularWeight: 579.496566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29BrF2N2O3S/c1-35-26-13-8-22(28)19-27(26)36(33,34)32-17-15-31(16-18-32)14-2-3-25(20-4-9-23(29)10-5-20)21-6-11-24(30)12-7-21/h4-13,19,25H,2-3,14-18H2,1H3