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

Systemtic Name: N-(2-chloranyl-4,5-dimethoxy-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-chloro-4,5-dimethoxy-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-chloro-4,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-4,5-dimethoxy-phenyl)-1-tosyl-isonipecotamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3Cl)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3Cl)OC)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-14-4-6-16(7-5-14)30(26,27)24-10-8-15(9-11-24)21(25)23-18-13-20(29-3)19(28-2)12-17(18)22/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,25)