N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H23ClFN3O5S MolecularWeight: 483.940823

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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)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H23ClFN3O5S/c1-14-6-7-16(26(28)29)12-20(14)32(30,31)25-10-8-15(9-11-25)21(27)24(2)13-17-18(22)4-3-5-19(17)23/h3-7,12,15H,8-11,13H2,1-2H3