4-chloranyl-N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-nitro-benzenesulfonamide Formula: C18H18ClN4O5S+ MolecularWeight: 437.87732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC(=CC=C2)OC)NS(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC(=CC=C2)OC)NS(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5S/c1-22-9-8-20-18(22)17(12-4-3-5-14(10-12)28-2)21-29(26,27)16-7-6-13(19)11-15(16)23(24)25/h3-11,17,21H,1-2H3/p+1/t17-/m0/s1