4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-piperonyl-benzamide Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O5S/c24-21(22-14-16-5-10-19-20(13-16)28-15-27-19)17-6-8-18(9-7-17)29(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14-15H2,(H,22,24)