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

Systemtic Name: N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(2-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C21H22FN5O5S MolecularWeight: 475.493283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2F)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2F)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22FN5O5S/c1-25-9-8-23-21(25)20(16-4-2-3-5-17(16)22)24-18-7-6-15(27(28)29)14-19(18)33(30,31)26-10-12-32-13-11-26/h2-9,14,20,24H,10-13H2,1H3