[(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [(1S)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1S)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-11(17(22)20-14-7-3-12(4-8-14)16(19)21)26-18(23)13-5-9-15(10-6-13)27(2,24)25/h3-11H,1-2H3,(H2,19,21)(H,20,22)/t11-/m0/s1