(3-fluoranyl-4-methyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-fluoro-4-methyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-fluoro-4-methylphenyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-fluoro-4-methylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-fluoro-4-methyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O5S/c1-13-6-7-14(12-15(13)19)18(23)20-8-10-21(11-9-20)28(26,27)17-5-3-2-4-16(17)22(24)25/h2-7,12H,8-11H2,1H3