N-[(2S)-2-(azepan-1-ium-1-yl)-2-(furan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(furan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-furyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(2-furanyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(furan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-furyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CO4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CO4

InChI

InChI=1S/C20H26N2O5S/c23-28(24,16-7-8-19-20(14-16)27-13-12-26-19)21-15-17(18-6-5-11-25-18)22-9-3-1-2-4-10-22/h5-8,11,14,17,21H,1-4,9-10,12-13,15H2/p+1/t17-/m0/s1