4-[(2-chloranyl-4-nitro-phenyl)methylcarbamoylamino]-3-methyl-benzenesulfonyl fluoride

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenyl)methylcarbamoylamino]-3-methyl-benzenesulfonyl fluoride Openeye Name: 4-[(2-chloro-4-nitro-phenyl)methylcarbamoylamino]-3-methyl-benzenesulfonyl fluoride CAS Name: 4-[[[(2-chloro-4-nitrophenyl)methylamino]-oxomethyl]amino]-3-methylbenzenesulfonyl fluoride IUPAC Name: 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride Traditional Name: 4-[(2-chloro-4-nitro-benzyl)carbamoylamino]-3-methyl-benzenesulfonyl fluoride Formula: C15H13ClFN3O5S MolecularWeight: 401.797223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)F)NC(=O)NCC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)F)NC(=O)NCC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H13ClFN3O5S/c1-9-6-12(26(17,24)25)4-5-14(9)19-15(21)18-8-10-2-3-11(20(22)23)7-13(10)16/h2-7H,8H2,1H3,(H2,18,19,21)