3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-[(benzylamino)methyl]-4-[4-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-[(benzylamino)methyl]-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Traditional Name: 3-[(benzylamino)methyl]-4-(4-tosyloxyphenyl)butyric acid Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(CC(=O)O)CNCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(CC(=O)O)CNCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO5S/c1-19-7-13-24(14-8-19)32(29,30)31-23-11-9-20(10-12-23)15-22(16-25(27)28)18-26-17-21-5-3-2-4-6-21/h2-14,22,26H,15-18H2,1H3,(H,27,28)