N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(piperonylamino)acetamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O5S/c26-22(15-23-14-17-8-9-20-21(12-17)30-16-29-20)24-18-6-5-7-19(13-18)31(27,28)25-10-3-1-2-4-11-25/h5-9,12-13,23H,1-4,10-11,14-16H2,(H,24,26)