N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N[C@H](C)C2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-13-10-18(23(24)25)11-19(14(13)2)28(26,27)21-15(3)16-4-6-17(7-5-16)22-9-8-20-12-22/h4-12,15,21H,1-3H3/t15-/m1/s1