4-[(E)-2-(1H-benzimidazol-2-yl)-2-(phenylsulfonyl)ethenyl]-N,N-dimethyl-2-nitro-aniline

Systemtic Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(phenylsulfonyl)ethenyl]-N,N-dimethyl-2-nitro-aniline Openeye Name: 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)vinyl]-N,N-dimethyl-2-nitro-aniline CAS Name: 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-dimethyl-2-nitroaniline IUPAC Name: 4-[(E)-2-(benzenesulfonyl)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-dimethyl-2-nitroaniline Traditional Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-besyl-vinyl]-2-nitro-phenyl]-dimethyl-amine Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)/C=C(\C2=NC3=CC=CC=C3N2)/S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-26(2)20-13-12-16(14-21(20)27(28)29)15-22(32(30,31)17-8-4-3-5-9-17)23-24-18-10-6-7-11-19(18)25-23/h3-15H,1-2H3,(H,24,25)/b22-15+