3-(3-methylphenoxy)-2-phenoxy-2-[phenylsulfonyl(propan-2-yl)amino]propanoic acid

Systemtic Name: 3-(3-methylphenoxy)-2-phenoxy-2-[phenylsulfonyl(propan-2-yl)amino]propanoic acid Openeye Name: 2-[benzenesulfonyl(isopropyl)amino]-3-(3-methylphenoxy)-2-phenoxy-propanoic acid CAS Name: 2-[benzenesulfonyl(propan-2-yl)amino]-3-(3-methylphenoxy)-2-phenoxypropanoic acid IUPAC Name: 2-[benzenesulfonyl(propan-2-yl)amino]-3-(3-methylphenoxy)-2-phenoxypropanoic acid Traditional Name: 2-[besyl(isopropyl)amino]-3-(3-methylphenoxy)-2-phenoxy-propionic acid Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C(=O)O)(N(C(C)C)S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(C(=O)O)(N(C(C)C)S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6S/c1-19(2)26(33(29,30)23-15-8-5-9-16-23)25(24(27)28,32-21-12-6-4-7-13-21)18-31-22-14-10-11-20(3)17-22/h4-17,19H,18H2,1-3H3,(H,27,28)