[(2S)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [(2S)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [(1S)-2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [(1S)-2-(2,4-dichloroanilino)-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=C(C=C(C=C1)Cl)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

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