N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 1-(1H-benzimidazol-2-yl)ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-10(16-18-12-5-3-4-6-13(12)19-16)17-14-8-7-11(25(2,23)24)9-15(14)20(21)22/h3-10,17H,1-2H3,(H,18,19)