[4-fluoranyl-2-nitro-5-(phenylmethyl)sulfonyl-phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-fluoranyl-2-nitro-5-(phenylmethyl)sulfonyl-phenyl]-piperazin-1-yl-methanone Openeye Name: (5-benzylsulfonyl-4-fluoro-2-nitro-phenyl)-piperazin-1-yl-methanone CAS Name: [4-fluoro-2-nitro-5-(phenylmethyl)sulfonylphenyl]-(1-piperazinyl)methanone IUPAC Name: (5-benzylsulfonyl-4-fluoro-2-nitrophenyl)-piperazin-1-ylmethanone Traditional Name: (5-benzylsulfonyl-4-fluoro-2-nitro-phenyl)-piperazino-methanone Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18FN3O5S/c19-15-11-16(22(24)25)14(18(23)21-8-6-20-7-9-21)10-17(15)28(26,27)12-13-4-2-1-3-5-13/h1-5,10-11,20H,6-9,12H2