2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-(pyridin-3-ylmethoxy)-4-(pyridin-3-ylmethyl)benzoic acid

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-(pyridin-3-ylmethoxy)-4-(pyridin-3-ylmethyl)benzoic acid Openeye Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-(3-pyridylmethoxy)-4-(3-pyridylmethyl)benzoic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-(3-pyridinylmethoxy)-4-(3-pyridinylmethyl)benzoic acid IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-(pyridin-3-ylmethoxy)-4-(pyridin-3-ylmethyl)benzoic acid Traditional Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-(3-pyridylmethoxy)-4-(3-pyridylmethyl)benzoic acid Formula: C26H23N3O6S MolecularWeight: 505.54232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2)C(=O)O)N)OCC3=CN=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2)C(=O)O)N)OCC3=CN=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C26H23N3O6S/c1-34-19-6-8-20(9-7-19)36(32,33)23-13-22(26(30)31)24(27)25(35-16-18-5-3-11-29-15-18)21(23)12-17-4-2-10-28-14-17/h2-11,13-15H,12,16,27H2,1H3,(H,30,31)