1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide Openeye Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide CAS Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide Traditional Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)nipecotamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C20H22ClN3O6S/c1-13-5-6-15(24(26)27)10-18(13)22-20(25)14-4-3-9-23(12-14)31(28,29)16-7-8-19(30-2)17(21)11-16/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,22,25)