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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-benzenesulfonamide Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C20H24N2O5S/c1-15-2-5-17(6-3-15)28(23,24)21-13-18(22-8-10-25-11-9-22)16-4-7-19-20(12-16)27-14-26-19/h2-7,12,18,21H,8-11,13-14H2,1H3/p+1/t18-/m1/s1