N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(6-imidazol-1-yl-3-pyridyl)methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[[6-(1-imidazolyl)-3-pyridinyl]methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (6-imidazol-1-yl-3-pyridyl)methyl-(4-mesyl-2-nitro-phenyl)amine Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S/c1-26(24,25)13-3-4-14(15(8-13)21(22)23)18-9-12-2-5-16(19-10-12)20-7-6-17-11-20/h2-8,10-11,18H,9H2,1H3