N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25ClN2O5S/c23-18-7-6-17(31(27,28)25-9-3-1-2-4-10-25)15-19(18)24-22(26)14-16-5-8-20-21(13-16)30-12-11-29-20/h5-8,13,15H,1-4,9-12,14H2,(H,24,26)