2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[4-(2-fluorophenyl)sulfonylpiperazino]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C20H23FN4O5S MolecularWeight: 450.483823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H23FN4O5S/c1-14-7-8-16(13-18(14)25(27)28)22-20(26)15(2)23-9-11-24(12-10-23)31(29,30)19-6-4-3-5-17(19)21/h3-8,13,15H,9-12H2,1-2H3,(H,22,26)