4-methyl-N-[3-(2-methyl-1H-imidazol-3-ium-3-yl)-2-oxidanyl-propyl]-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-(2-methyl-1H-imidazol-3-ium-3-yl)-2-oxidanyl-propyl]-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: N-[2-hydroxy-3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[2-hydroxy-3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[2-hydroxy-3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[2-hydroxy-3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Formula: C20H23N4O5S+ MolecularWeight: 431.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=C(NC=C2)C)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=C(NC=C2)C)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-15-6-8-20(9-7-15)30(28,29)23(17-4-3-5-18(12-17)24(26)27)14-19(25)13-22-11-10-21-16(22)2/h3-12,19,25H,13-14H2,1-2H3/p+1