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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1,3-benzodioxol-5-yloxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23ClN2O6S/c22-17-7-6-16(31(26,27)24-9-3-1-2-4-10-24)12-18(17)23-21(25)13-28-15-5-8-19-20(11-15)30-14-29-19/h5-8,11-12H,1-4,9-10,13-14H2,(H,23,25)