N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]thiophene-2-sulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]thiophene-2-sulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-sulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]thiophene-2-sulfonamide Formula: C17H21N2O5S2+ MolecularWeight: 397.48904

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNS(=O)(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNS(=O)(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N2O5S2/c20-26(21,17-2-1-9-25-17)18-11-14(19-5-7-22-8-6-19)13-3-4-15-16(10-13)24-12-23-15/h1-4,9-10,14,18H,5-8,11-12H2/p+1/t14-/m1/s1