1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione

Systemtic Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione Openeye Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione CAS Name: 1-[4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione IUPAC Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione Traditional Name: 1-[4-[4-(4-fluorophenyl)sulfonylpiperazino]-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-quinone Formula: C21H21FN4O6S MolecularWeight: 476.478043

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O6S/c1-14-12-20(27)25(21(14)28)16-4-7-18(19(13-16)26(29)30)23-8-10-24(11-9-23)33(31,32)17-5-2-15(22)3-6-17/h2-7,13-14H,8-12H2,1H3