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

Systemtic Name: 7-[5-(phenethylamino)pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide hydrochloride Openeye Name: 7-[5-(phenethylamino)pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide hydrochloride CAS Name: 7-[1-oxo-5-(phenethylamino)pentyl]-2,3-dihydro-1,4-benzodioxin-5-sulfonamide hydrochloride IUPAC Name: 7-[5-(phenethylamino)pentanoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide hydrochloride Traditional Name: 7-[5-(phenethylamino)pentanoyl]-2,3-dihydro-1,4-benzodioxin-5-sulfonamide hydrochloride Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2S(=O)(=O)N)C(=O)CCCCNCCC3=CC=CC=C3.Cl

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2S(=O)(=O)N)C(=O)CCCCNCCC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26N2O5S.ClH/c22-29(25,26)20-15-17(14-19-21(20)28-13-12-27-19)18(24)8-4-5-10-23-11-9-16-6-2-1-3-7-16;/h1-3,6-7,14-15,23H,4-5,8-13H2,(H2,22,25,26);1H