methyl 4-[(5-methylsulfonyl-2-phenylmethoxy-phenyl)methylamino]benzoate

Systemtic Name: methyl 4-[(5-methylsulfonyl-2-phenylmethoxy-phenyl)methylamino]benzoate Openeye Name: methyl 4-[(2-benzyloxy-5-methylsulfonyl-phenyl)methylamino]benzoate CAS Name: 4-[(5-methylsulfonyl-2-phenylmethoxyphenyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methylsulfonyl-2-phenylmethoxyphenyl)methylamino]benzoate Traditional Name: 4-[(2-benzoxy-5-mesyl-benzyl)amino]benzoic acid methyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)S(=O)(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)S(=O)(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO5S/c1-28-23(25)18-8-10-20(11-9-18)24-15-19-14-21(30(2,26)27)12-13-22(19)29-16-17-6-4-3-5-7-17/h3-14,24H,15-16H2,1-2H3