[4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H17FN2O6S MolecularWeight: 444.432883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O6S/c1-14-13-15(7-12-19(14)24(26)27)21(25)30-17-10-8-16(9-11-17)23(2)31(28,29)20-6-4-3-5-18(20)22/h3-13H,1-2H3