2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C21H24ClFN4O5S MolecularWeight: 498.955463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClFN4O5S/c1-13-4-7-19(27(29)30)20(14(13)2)24-21(28)15(3)25-8-10-26(11-9-25)33(31,32)16-5-6-18(23)17(22)12-16/h4-7,12,15H,8-11H2,1-3H3,(H,24,28)