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2-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenoxy]sulfonylbenzoic acid

2-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenoxy]sulfonylbenzoic acid

Systemtic Name:2-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenoxy]sulfonylbenzoic acid
Openeye Name:2-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenoxy]sulfonylbenzoic acid
CAS Name:2-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenoxy]sulfonylbenzoic acid
IUPAC Name:2-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenoxy]sulfonylbenzoic acid
Traditional Name:2-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenoxy]sulfonylbenzoic acid
Formula: C21H20N2O6S
MolecularWeight: 428.4583
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C(=O)O)OCCNC3=CC=NC=C3


Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C(=O)O)OCCNC3=CC=NC=C3


InChI

InChI=1S/C21H20N2O6S/c1-15-12-17(28-11-10-23-16-6-8-22-9-7-16)14-18(13-15)29-30(26,27)20-5-3-2-4-19(20)21(24)25/h2-9,12-14H,10-11H2,1H3,(H,22,23)(H,24,25)


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