3-(4-cyclopentyloxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(4-cyclopentyloxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[4-(cyclopentoxy)phenyl]-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid CAS Name: 3-(4-cyclopentyloxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(4-cyclopentyloxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[4-(cyclopentoxy)phenyl]-3-[(4-methoxyphenyl)sulfonylamino]propionic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC3CCCC3

InChI

InChI=1S/C21H25NO6S/c1-27-16-10-12-19(13-11-16)29(25,26)22-20(14-21(23)24)15-6-8-18(9-7-15)28-17-4-2-3-5-17/h6-13,17,20,22H,2-5,14H2,1H3,(H,23,24)