4-chloranyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[1-[4-(1-imidazolyl)phenyl]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-nitro-benzenesulfonamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O4S/c1-12(13-2-4-14(5-3-13)21-9-8-19-11-21)20-27(25,26)15-6-7-16(18)17(10-15)22(23)24/h2-12,20H,1H3