2-[(4-chlorophenyl)sulfonylamino]ethyl 3-[3-(4-cyanophenyl)carbonylphenyl]propanoate

Systemtic Name: 2-[(4-chlorophenyl)sulfonylamino]ethyl 3-[3-(4-cyanophenyl)carbonylphenyl]propanoate Openeye Name: 2-[(4-chlorophenyl)sulfonylamino]ethyl 3-[3-(4-cyanobenzoyl)phenyl]propanoate CAS Name: 3-[3-[(4-cyanophenyl)-oxomethyl]phenyl]propanoic acid 2-[(4-chlorophenyl)sulfonylamino]ethyl ester IUPAC Name: 2-[(4-chlorophenyl)sulfonylamino]ethyl 3-[3-(4-cyanobenzoyl)phenyl]propanoate Traditional Name: 3-[3-(4-cyanobenzoyl)phenyl]propionic acid 2-[(4-chlorophenyl)sulfonylamino]ethyl ester Formula: C25H21ClN2O5S MolecularWeight: 496.96264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCC(=O)OCCNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CCC(=O)OCCNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H21ClN2O5S/c26-22-9-11-23(12-10-22)34(31,32)28-14-15-33-24(29)13-6-18-2-1-3-21(16-18)25(30)20-7-4-19(17-27)5-8-20/h1-5,7-12,16,28H,6,13-15H2