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

Systemtic Name: 5-bromanyl-2-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Formula: C19H24BrN2O4S+ MolecularWeight: 456.37386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H23BrN2O4S/c1-25-18-8-7-16(20)13-19(18)27(23,24)21-17(15-5-3-2-4-6-15)14-22-9-11-26-12-10-22/h2-8,13,17,21H,9-12,14H2,1H3/p+1/t17-/m1/s1