[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6S/c1-14(19(24)22-17-4-2-3-16(21)13-17)29-20(25)15-5-7-18(8-6-15)30(26,27)23-9-11-28-12-10-23/h2-8,13-14H,9-12H2,1H3,(H,22,24)/t14-/m1/s1