N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-piperonylamide Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c23-20(15-5-10-18-19(13-15)27-14-26-18)21-16-6-8-17(9-7-16)28(24,25)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12,14H2,(H,21,23)