N-[(4-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(2,5-dimethoxyphenyl)sulfonyl-nipecotamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-28-18-9-10-19(29-2)20(12-18)30(26,27)24-11-3-4-16(14-24)21(25)23-13-15-5-7-17(22)8-6-15/h5-10,12,16H,3-4,11,13-14H2,1-2H3,(H,23,25)