ethyl 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-propanoate

Systemtic Name: ethyl 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-propanoate Openeye Name: ethyl 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-propanoate CAS Name: 3-[4-[2-(1-azepanyl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonylpropanoate Traditional Name: 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-propionic acid ethyl ester Formula: C26H35NO6S MolecularWeight: 489.6242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H35NO6S/c1-3-32-26(28)25(34(29,30)24-14-12-22(31-2)13-15-24)20-21-8-10-23(11-9-21)33-19-18-27-16-6-4-5-7-17-27/h8-15,25H,3-7,16-20H2,1-2H3