N-tert-butyl-4-[[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(R)-(3-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide Formula: C21H24FN5O4S MolecularWeight: 461.509763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(C2=CC(=CC=C2)F)C3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N[C@H](C2=CC(=CC=C2)F)C3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN5O4S/c1-21(2,3)25-32(30,31)16-8-9-17(18(13-16)27(28)29)24-19(20-23-10-11-26(20)4)14-6-5-7-15(22)12-14/h5-13,19,24-25H,1-4H3/t19-/m1/s1