[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-(4-chloroanilino)-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=C(C=C1)Cl)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

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

InChI

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