N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C22H25ClN2O5S/c1-29-20-15-21(30-2)19(14-18(20)23)24-22(26)17-8-11-25(12-9-17)31(27,28)13-10-16-6-4-3-5-7-16/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,24,26)/b13-10+