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

Systemtic Name: ethyl 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoate Openeye Name: ethyl 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoate CAS Name: 3-[4-[2-(1-azepanyl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoate Traditional Name: 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propionic acid ethyl ester Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO6S/c1-4-33-26(29)27(2,35(30,31)25-15-13-23(32-3)14-16-25)21-22-9-11-24(12-10-22)34-20-19-28-17-7-5-6-8-18-28/h9-16H,4-8,17-21H2,1-3H3