methyl 2-[[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O5S/c1-13(2)10-19(21(26)29-4)23-20(25)15-6-5-7-16(11-15)24-30(27,28)17-9-8-14(3)18(22)12-17/h5-9,11-13,19,24H,10H2,1-4H3,(H,23,25)