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

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H21Cl2N3O5S MolecularWeight: 486.36884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H21Cl2N3O5S/c1-12-9-13(2)19(17(22)10-12)23-20(26)14-5-7-24(8-6-14)31(29,30)18-11-15(25(27)28)3-4-16(18)21/h3-4,9-11,14H,5-8H2,1-2H3,(H,23,26)