[2-[[4-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[[4-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[4-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-[4-[(1R)-1-methylpropyl]anilino]ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC[C@@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H23NO5S/c1-4-14(2)15-5-9-17(10-6-15)21-19(22)13-26-20(23)16-7-11-18(12-8-16)27(3,24)25/h5-12,14H,4,13H2,1-3H3,(H,21,22)/t14-/m1/s1