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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-2,5-dimethyl-benzenesulfonamide Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-3-4-16(2)21(11-15)29(24,25)22-13-18(23-7-9-26-10-8-23)17-5-6-19-20(12-17)28-14-27-19/h3-6,11-12,18,22H,7-10,13-14H2,1-2H3/p+1/t18-/m1/s1