(3R)-N-(3,5-dimethylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-(3,5-dimethylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(3,5-dimethylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-(3,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(3,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(3,5-dimethylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-nipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O4S/c1-15-7-8-20(28-4)21(13-15)29(26,27)24-9-5-6-18(14-24)22(25)23-19-11-16(2)10-17(3)12-19/h7-8,10-13,18H,5-6,9,14H2,1-4H3,(H,23,25)/t18-/m1/s1