[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [(2S)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [(1S)-2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [(2S)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [(1S)-2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H18ClNO5S/c1-12(17(21)20-11-13-7-9-14(19)10-8-13)25-18(22)15-5-3-4-6-16(15)26(2,23)24/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m0/s1