N-[(4-fluorophenyl)methyl]-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(4-fluorobenzyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]acetamide Formula: C20H23FN4O5S MolecularWeight: 450.483823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)F

InChI

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