(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,5-diethoxyphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2,5-diethoxyphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2,5-diethoxyphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2,5-diethoxyphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2,5-diethoxyphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2,5-diethoxyphenyl)nipecotamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O5S/c1-3-29-18-9-12-21(30-4-2)20(14-18)24-22(26)16-6-5-13-25(15-16)31(27,28)19-10-7-17(23)8-11-19/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,24,26)/t16-/m0/s1