2-[4-[2-(4-methoxyphenyl)-5-methylsulfonyl-pyrazol-3-yl]phenoxy]ethanamine

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfonyl-pyrazol-3-yl]phenoxy]ethanamine Openeye Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfonyl-pyrazol-3-yl]phenoxy]ethanamine CAS Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfonyl-3-pyrazolyl]phenoxy]ethanamine IUPAC Name: 2-[4-[2-(4-methoxyphenyl)-5-methylsulfonylpyrazol-3-yl]phenoxy]ethanamine Traditional Name: 2-[4-[5-mesyl-2-(4-methoxyphenyl)pyrazol-3-yl]phenoxy]ethylamine Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)S(=O)(=O)C)C3=CC=C(C=C3)OCCN

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)S(=O)(=O)C)C3=CC=C(C=C3)OCCN

InChI

InChI=1S/C19H21N3O4S/c1-25-16-9-5-15(6-10-16)22-18(13-19(21-22)27(2,23)24)14-3-7-17(8-4-14)26-12-11-20/h3-10,13H,11-12,20H2,1-2H3