N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(4-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C22H25FN6O4S MolecularWeight: 488.535103

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C3=CC=C(C=C3)F)C4=NC=CN4C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C3=CC=C(C=C3)F)C4=NC=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C22H25FN6O4S/c1-26-11-13-28(14-12-26)34(32,33)18-7-8-19(20(15-18)29(30)31)25-21(22-24-9-10-27(22)2)16-3-5-17(23)6-4-16/h3-10,15,21,25H,11-14H2,1-2H3