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

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C27H29F2N3O4S MolecularWeight: 529.598666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29F2N3O4S/c1-20-4-13-25(32(33)34)19-27(20)37(35,36)31-17-15-30(16-18-31)14-2-3-26(21-5-9-23(28)10-6-21)22-7-11-24(29)12-8-22/h4-13,19,26H,2-3,14-18H2,1H3