[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 2,3-dimethoxy-5-morpholinosulfonyl-benzoate CAS Name: 2,3-dimethoxy-5-(4-morpholinylsulfonyl)benzoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,3-dimethoxy-5-morpholinosulfonyl-benzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H25ClN2O8S MolecularWeight: 512.9605

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H25ClN2O8S/c1-30-19-12-17(34(28,29)25-7-9-32-10-8-25)11-18(21(19)31-2)22(27)33-14-20(26)24-13-15-3-5-16(23)6-4-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,26)