[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 2,4-dichloro-5-morpholinosulfonyl-benzoate CAS Name: 2,4-dichloro-5-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,4-dichloro-5-morpholinosulfonyl-benzoic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C20H20Cl2N2O6S MolecularWeight: 487.3536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H20Cl2N2O6S/c1-13(19(25)23-14-5-3-2-4-6-14)30-20(26)15-11-18(17(22)12-16(15)21)31(27,28)24-7-9-29-10-8-24/h2-6,11-13H,7-10H2,1H3,(H,23,25)/t13-/m0/s1