2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-1-[4-(4-fluorophenyl)sulfonylpiperazino]ethanone Formula: C20H22ClFN4O5S MolecularWeight: 484.928883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN4O5S/c1-23(13-15-12-17(26(28)29)4-7-19(15)21)14-20(27)24-8-10-25(11-9-24)32(30,31)18-5-2-16(22)3-6-18/h2-7,12H,8-11,13-14H2,1H3