ethyl 3-[3-[2-(cyclohexylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-[2-(cyclohexylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(cyclohexylsulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-(cyclohexylsulfonylamino)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(cyclohexylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-[2-(cyclohexylsulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid ethyl ester Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCNS(=O)(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCNS(=O)(=O)C3CCCCC3

InChI

InChI=1S/C25H34N2O4S/c1-2-31-25(28)11-10-20-15-21(17-23(16-20)18-22-7-6-13-26-19-22)12-14-27-32(29,30)24-8-4-3-5-9-24/h6-7,13,15-17,19,24,27H,2-5,8-12,14,18H2,1H3