N,N-diethyl-4-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C24H23N5O7S2 MolecularWeight: 557.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O7S2/c1-4-26(5-2)38(34,35)17-11-13-23(21(15-17)29(32)33)37-24-25-18-14-16(28(30)31)10-12-19(18)27(24)20-8-6-7-9-22(20)36-3/h6-15H,4-5H2,1-3H3