N-[(1S,2S)-2-azanyl-1,2-diphenyl-ethyl]-4-[4-(3-methylimidazol-3-ium-1-yl)butoxy]benzenesulfonamide

Systemtic Name: N-[(1S,2S)-2-azanyl-1,2-diphenyl-ethyl]-4-[4-(3-methylimidazol-3-ium-1-yl)butoxy]benzenesulfonamide Openeye Name: N-[(1S,2S)-2-amino-1,2-diphenyl-ethyl]-4-[4-(3-methylimidazol-3-ium-1-yl)butoxy]benzenesulfonamide CAS Name: N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-[4-(3-methyl-1-imidazol-3-iumyl)butoxy]benzenesulfonamide IUPAC Name: N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-[4-(3-methylimidazol-3-ium-1-yl)butoxy]benzenesulfonamide Traditional Name: N-[(1S,2S)-2-amino-1,2-diphenyl-ethyl]-4-[4-(3-methylimidazol-3-ium-1-yl)butoxy]benzenesulfonamide Formula: C28H33N4O3S+ MolecularWeight: 505.65162

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCCOC2=CC=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)C(C4=CC=CC=C4)N

Isomeric SMILES

C[N+]1=CN(C=C1)CCCCOC2=CC=C(C=C2)S(=O)(=O)N[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)N

InChI

InChI=1S/C28H33N4O3S/c1-31-19-20-32(22-31)18-8-9-21-35-25-14-16-26(17-15-25)36(33,34)30-28(24-12-6-3-7-13-24)27(29)23-10-4-2-5-11-23/h2-7,10-17,19-20,22,27-28,30H,8-9,18,21,29H2,1H3/q+1/t27-,28-/m0/s1