(3R)-N-(5-chloranyl-2-methoxy-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-(5-chloranyl-2-methoxy-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(5-chloro-2-methoxy-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(5-chloro-2-methoxy-phenyl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C20H23ClN2O5S MolecularWeight: 438.92502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H23ClN2O5S/c1-27-16-6-8-17(9-7-16)29(25,26)23-11-3-4-14(13-23)20(24)22-18-12-15(21)5-10-19(18)28-2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,24)/t14-/m1/s1