(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-mesityl-nipecotamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl)C

InChI

InChI=1S/C22H27ClN2O4S/c1-14-10-15(2)21(16(3)11-14)24-22(26)17-6-5-9-25(13-17)30(27,28)18-7-8-20(29-4)19(23)12-18/h7-8,10-12,17H,5-6,9,13H2,1-4H3,(H,24,26)/t17-/m0/s1