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

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-fluoro-4-methyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-fluoro-4-methylphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-fluoro-4-methylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-fluoro-4-methyl-phenyl)-[4-(3-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/c1-13-5-6-14(11-17(13)19)18(23)20-7-9-21(10-8-20)28(26,27)16-4-2-3-15(12-16)22(24)25/h2-6,11-12H,7-10H2,1H3