2-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-3-(oxan-2-yloxymethyl)benzoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-3-(oxan-2-yloxymethyl)benzoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-(tetrahydropyran-2-yloxymethyl)benzoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-3-(2-oxanyloxymethyl)benzoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-3-(oxan-2-yloxymethyl)benzoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-(tetrahydropyran-2-yloxymethyl)benzoic acid Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CN(C2=CN=CC=C2)C3=C(C=CC=C3COC4CCCCO4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CN(C2=CN=CC=C2)C3=C(C=CC=C3COC4CCCCO4)C(=O)O

InChI

InChI=1S/C26H28N2O7S/c1-33-21-10-12-22(13-11-21)36(31,32)18-28(20-7-5-14-27-16-20)25-19(6-4-8-23(25)26(29)30)17-35-24-9-2-3-15-34-24/h4-8,10-14,16,24H,2-3,9,15,17-18H2,1H3,(H,29,30)