[5-[[(2-chlorophenyl)carbonyl-cyclopropyl-amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [5-[[(2-chlorophenyl)carbonyl-cyclopropyl-amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[(2-chlorobenzoyl)-cyclopropyl-amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[[(2-chlorophenyl)-oxomethyl]-cyclopropylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-chlorobenzoyl)-cyclopropylamino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[(2-chlorobenzoyl)-cyclopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C25H24ClNO6S MolecularWeight: 501.97916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(C3CC3)C(=O)C4=CC=CC=C4Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(C3CC3)C(=O)C4=CC=CC=C4Cl)OC

InChI

InChI=1S/C25H24ClNO6S/c1-31-19-10-12-20(13-11-19)34(29,30)33-24-15-17(7-14-23(24)32-2)16-27(18-8-9-18)25(28)21-5-3-4-6-22(21)26/h3-7,10-15,18H,8-9,16H2,1-2H3