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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H23FN4O5S/c1-15-18(6-3-7-19(15)25(27)28)22-20(26)8-9-23-10-12-24(13-11-23)31(29,30)17-5-2-4-16(21)14-17/h2-7,14H,8-13H2,1H3,(H,22,26)