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

Systemtic Name: 2-[3-[[methylsulfonyl-[(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-isopropoxyphenyl)methyl-methylsulfonyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[methylsulfonyl-[(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[methylsulfonyl-[(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-isopropoxybenzyl)-mesyl-amino]methyl]phenyl]acetic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H25NO5S/c1-15(2)26-19-9-7-16(8-10-19)13-21(27(3,24)25)14-18-6-4-5-17(11-18)12-20(22)23/h4-11,15H,12-14H2,1-3H3,(H,22,23)