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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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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=C3OC)Cl)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C21H24ClN3O7S/c1-13-4-5-15(25(27)28)10-20(13)33(29,30)24-8-6-14(7-9-24)21(26)23-17-12-18(31-2)16(22)11-19(17)32-3/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,26)