[(2R)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [(2R)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [(1R)-2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [(1R)-2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-14(19(23)22-17-11-9-16(10-12-17)21(2,3)4)27-20(24)15-7-6-8-18(13-15)28(5,25)26/h6-14H,1-5H3,(H,22,23)/t14-/m1/s1