(3R)-N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(3,5-dimethylphenyl)-1-p-phenetylsulfonyl-nipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC(=CC(=C3)C)C

InChI

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