4-bromanyl-3-methyl-N-[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-3-methyl-N-[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]benzenesulfonamide Openeye Name: 4-bromo-3-methyl-N-[(1S,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzenesulfonamide CAS Name: 4-bromo-3-methyl-N-[(1R,2S)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]benzenesulfonamide IUPAC Name: 4-bromo-3-methyl-N-[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]benzenesulfonamide Traditional Name: 4-bromo-3-methyl-N-[(1S,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzenesulfonamide Formula: C20H26BrN2O3S+ MolecularWeight: 454.40104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC(C)C(C2=CC=CC=C2)[NH+]3CCOCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N[C@@H](C)[C@@H](C2=CC=CC=C2)[NH+]3CCOCC3)Br

InChI

InChI=1S/C20H25BrN2O3S/c1-15-14-18(8-9-19(15)21)27(24,25)22-16(2)20(17-6-4-3-5-7-17)23-10-12-26-13-11-23/h3-9,14,16,20,22H,10-13H2,1-2H3/p+1/t16-,20-/m0/s1