N-[1-(4-azanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[1-(4-azanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-(4-amino-3-nitro-benzoyl)-4-piperidyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[(4-amino-3-nitrophenyl)-oxomethyl]-4-piperidinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-(4-amino-3-nitrobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-(4-amino-3-nitro-benzoyl)-4-piperidyl]-4-fluoro-benzenesulfonamide Formula: C18H19FN4O5S MolecularWeight: 422.430663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

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