N,N-diethyl-4-(1-methylbenzimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(1-methylbenzimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(1-methylbenzimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(1-methyl-2-benzimidazolyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(1-methylbenzimidazol-2-yl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C18H20N4O4S2 MolecularWeight: 420.5058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3N2C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3N2C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S2/c1-4-21(5-2)28(25,26)13-10-11-17(16(12-13)22(23)24)27-18-19-14-8-6-7-9-15(14)20(18)3/h6-12H,4-5H2,1-3H3