7-[5-[2-(2-chlorophenyl)ethyl-methyl-amino]pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

Systemtic Name: 7-[5-[2-(2-chlorophenyl)ethyl-methyl-amino]pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide Openeye Name: 7-[5-[2-(2-chlorophenyl)ethyl-methyl-amino]pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide CAS Name: 7-[5-[2-(2-chlorophenyl)ethyl-methylamino]-1-oxopentyl]-2,3-dihydro-1,4-benzodioxin-5-sulfonamide IUPAC Name: 7-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide Traditional Name: 7-[5-[2-(2-chlorophenyl)ethyl-methyl-amino]pentanoyl]-2,3-dihydro-1,4-benzodioxin-5-sulfonamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)C1=CC2=C(C(=C1)S(=O)(=O)N)OCCO2)CCC3=CC=CC=C3Cl

Isomeric SMILES

CN(CCCCC(=O)C1=CC2=C(C(=C1)S(=O)(=O)N)OCCO2)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H27ClN2O5S/c1-25(11-9-16-6-2-3-7-18(16)23)10-5-4-8-19(26)17-14-20-22(30-13-12-29-20)21(15-17)31(24,27)28/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H2,24,27,28)