4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(4-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amine Formula: C23H26FN5O4S MolecularWeight: 487.547043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26FN5O4S/c1-27-15-12-25-23(27)22(17-6-8-18(24)9-7-17)26-20-11-10-19(16-21(20)29(30)31)34(32,33)28-13-4-2-3-5-14-28/h6-12,15-16,22,26H,2-5,13-14H2,1H3