2-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[mesyl-(4-phenoxybenzyl)amino]methyl]phenyl]acetic acid Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)OC2=CC=CC=C2)CC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)OC2=CC=CC=C2)CC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C23H23NO5S/c1-30(27,28)24(17-20-7-5-6-19(14-20)15-23(25)26)16-18-10-12-22(13-11-18)29-21-8-3-2-4-9-21/h2-14H,15-17H2,1H3,(H,25,26)