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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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