7-[5-[2-(2-methoxyphenyl)ethylamino]pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

Systemtic Name: 7-[5-[2-(2-methoxyphenyl)ethylamino]pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide Openeye Name: 7-[5-[2-(2-methoxyphenyl)ethylamino]pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide CAS Name: 7-[5-[2-(2-methoxyphenyl)ethylamino]-1-oxopentyl]-2,3-dihydro-1,4-benzodioxin-5-sulfonamide IUPAC Name: 7-[5-[2-(2-methoxyphenyl)ethylamino]pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide Traditional Name: 7-[5-[2-(2-methoxyphenyl)ethylamino]pentanoyl]-2,3-dihydro-1,4-benzodioxin-5-sulfonamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNCCCCC(=O)C2=CC3=C(C(=C2)S(=O)(=O)N)OCCO3

Isomeric SMILES

COC1=CC=CC=C1CCNCCCCC(=O)C2=CC3=C(C(=C2)S(=O)(=O)N)OCCO3

InChI

InChI=1S/C22H28N2O6S/c1-28-19-8-3-2-6-16(19)9-11-24-10-5-4-7-18(25)17-14-20-22(30-13-12-29-20)21(15-17)31(23,26)27/h2-3,6,8,14-15,24H,4-5,7,9-13H2,1H3,(H2,23,26,27)