N-(3-chloranyl-4-methoxy-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-tosyl-isonipecotamide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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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=C3)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-14-3-6-17(7-4-14)28(25,26)23-11-9-15(10-12-23)20(24)22-16-5-8-19(27-2)18(21)13-16/h3-8,13,15H,9-12H2,1-2H3,(H,22,24)