2-azanyl-3-(2-methoxyethoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-3-(2-methoxyethoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-(2-methoxyethoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-(2-methoxyethoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-(2-methoxyethoxymethoxy)-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-(2-methoxyethoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C25H27NO8S MolecularWeight: 501.54878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C(=CC(=C1S(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

COCCOCOC1=C(C(=CC(=C1S(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C25H27NO8S/c1-31-12-13-33-16-34-23-22(26)21(25(27)28)15-18(14-17-6-4-3-5-7-17)24(23)35(29,30)20-10-8-19(32-2)9-11-20/h3-11,15H,12-14,16,26H2,1-2H3,(H,27,28)