[4-[(4-fluorophenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[(4-fluorophenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[(4-fluorophenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(4-fluoroanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-fluorophenyl)carbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[(4-fluorophenyl)carbamoyl]phenyl] ester Formula: C20H15FN2O6S MolecularWeight: 430.406303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN2O6S/c1-13-2-9-17(23(25)26)12-19(13)30(27,28)29-18-10-3-14(4-11-18)20(24)22-16-7-5-15(21)6-8-16/h2-12H,1H3,(H,22,24)