5-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline

Systemtic Name: 5-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline Openeye Name: 5-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline CAS Name: 5-[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethylaniline Traditional Name: [5-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazino]-2-nitro-phenyl]-phenethyl-amine Formula: C25H27FN4O5S MolecularWeight: 514.569083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)F

InChI

InChI=1S/C25H27FN4O5S/c1-35-25-10-8-21(18-22(25)26)36(33,34)29-15-13-28(14-16-29)20-7-9-24(30(31)32)23(17-20)27-12-11-19-5-3-2-4-6-19/h2-10,17-18,27H,11-16H2,1H3