[4-[(3-methylphenyl)carbonylamino]phenyl] 4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-[(3-methylphenyl)carbonylamino]phenyl] 4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [4-[(3-methylbenzoyl)amino]phenyl] 4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-fluoro-3-(1-pyrrolidinylsulfonyl)benzoic acid [4-[[(3-methylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(3-methylbenzoyl)amino]phenyl] 4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-pyrrolidinosulfonyl-benzoic acid [4-(m-toluoylamino)phenyl] ester Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H23FN2O5S/c1-17-5-4-6-18(15-17)24(29)27-20-8-10-21(11-9-20)33-25(30)19-7-12-22(26)23(16-19)34(31,32)28-13-2-3-14-28/h4-12,15-16H,2-3,13-14H2,1H3,(H,27,29)