N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isonipecotamide Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O5S/c24-21(22-18-6-7-19-20(14-18)28-13-12-27-19)17-8-10-23(11-9-17)29(25,26)15-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,22,24)