N-(5-chloranyl-2-methoxy-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-mesitylsulfonyl-isonipecotamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4S/c1-14-11-15(2)21(16(3)12-14)30(27,28)25-9-7-17(8-10-25)22(26)24-19-13-18(23)5-6-20(19)29-4/h5-6,11-13,17H,7-10H2,1-4H3,(H,24,26)