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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-11(2)17(18-20-13-6-4-5-7-14(13)21-18)19-15-9-8-12(27(3,25)26)10-16(15)22(23)24/h4-11,17,19H,1-3H3,(H,20,21)