[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C20H18ClN3O6S MolecularWeight: 463.89142

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C20H18ClN3O6S/c21-16-5-4-15(12-22)18(11-16)23-19(25)13-30-20(26)14-2-1-3-17(10-14)31(27,28)24-6-8-29-9-7-24/h1-5,10-11H,6-9,13H2,(H,23,25)