N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-nitro-benzenesulfonamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-13(14-6-8-15(9-7-14)20-11-10-18-12-20)19-26(24,25)17-5-3-2-4-16(17)21(22)23/h2-13,19H,1H3