N-(3-acetamido-4-fluoranyl-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-acetamido-4-fluorophenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H23FN4O6S MolecularWeight: 478.493923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C

InChI

InChI=1S/C21H23FN4O6S/c1-13-3-5-17(26(29)30)12-20(13)33(31,32)25-9-7-15(8-10-25)21(28)24-16-4-6-18(22)19(11-16)23-14(2)27/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,27)(H,24,28)