[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-keto-2-(o-anisylamino)ethyl] ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H23ClN2O7S/c1-29-19-5-3-2-4-15(19)13-23-20(25)14-31-21(26)17-12-16(6-7-18(17)22)32(27,28)24-8-10-30-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)