4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2-fluorobenzyl)piperazino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H21FN4O4S MolecularWeight: 408.447143

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN4O4S/c1-20-28(26,27)15-6-7-17(18(12-15)23(24)25)22-10-8-21(9-11-22)13-14-4-2-3-5-16(14)19/h2-7,12,20H,8-11,13H2,1H3