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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-piperonyl-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)NCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c26-22(24-14-17-8-9-20-21(12-17)30-16-29-20)15-23-18-6-5-7-19(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)