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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-4-methoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-benzenesulfonamide Formula: C20H25N2O6S+ MolecularWeight: 421.4873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C20H24N2O6S/c1-25-16-3-5-17(6-4-16)29(23,24)21-13-18(22-8-10-26-11-9-22)15-2-7-19-20(12-15)28-14-27-19/h2-7,12,18,21H,8-11,13-14H2,1H3/p+1/t18-/m1/s1