N-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-chlorobenzyl)sulfonyl-isonipecotamide Formula: C20H21ClN2O5S MolecularWeight: 436.90914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H21ClN2O5S/c21-17-4-2-1-3-15(17)12-29(25,26)23-9-7-14(8-10-23)20(24)22-16-5-6-18-19(11-16)28-13-27-18/h1-6,11,14H,7-10,12-13H2,(H,22,24)