4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazino]methyl]-3-nitro-benzamide Formula: C18H19FN4O5S MolecularWeight: 422.430663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H19FN4O5S/c19-15-2-1-3-16(11-15)29(27,28)22-8-6-21(7-9-22)12-14-5-4-13(18(20)24)10-17(14)23(25)26/h1-5,10-11H,6-9,12H2,(H2,20,24)