[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C20H21ClO5S MolecularWeight: 408.89574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClO5S/c1-4-13(2)14-5-7-15(8-6-14)19(22)12-26-20(23)17-11-16(27(3,24)25)9-10-18(17)21/h5-11,13H,4,12H2,1-3H3/t13-/m0/s1