4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: 4-[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: 4-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=CN=C2SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC1N2C(=CN=C2SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H16N4O4S2/c19-28(25,26)14-8-9-17(15(10-14)22(23)24)27-18-20-11-16(21(18)13-6-7-13)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2,(H2,19,25,26)