N-(2-chloranyl-4,6-dimethyl-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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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=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C21H24ClN3O5S/c1-13-10-15(3)20(18(22)11-13)23-21(26)16-6-8-24(9-7-16)31(29,30)19-12-17(25(27)28)5-4-14(19)2/h4-5,10-12,16H,6-9H2,1-3H3,(H,23,26)