ethyl 3-[[4-(3-chloranyl-2-cyano-phenoxy)phenyl]sulfonyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[4-(3-chloranyl-2-cyano-phenoxy)phenyl]sulfonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonyl-amino]propanoate CAS Name: 3-[[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylamino]propanoate Traditional Name: 3-[benzyl-[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonyl-amino]propionic acid ethyl ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

InChI

InChI=1S/C25H23ClN2O5S/c1-2-32-25(29)15-16-28(18-19-7-4-3-5-8-19)34(30,31)21-13-11-20(12-14-21)33-24-10-6-9-23(26)22(24)17-27/h3-14H,2,15-16,18H2,1H3