[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)N3CCOCC3

InChI

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