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

Systemtic Name: 4-bromanyl-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Openeye Name: 4-bromo-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide CAS Name: 4-bromo-3-methyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzenesulfonamide IUPAC Name: 4-bromo-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide Traditional Name: 4-bromo-3-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C19H23BrN2O3S/c1-15-13-17(7-8-18(15)20)26(23,24)21-19(16-5-3-2-4-6-16)14-22-9-11-25-12-10-22/h2-8,13,19,21H,9-12,14H2,1H3/p+1/t19-/m1/s1