methyl 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-yl-ethyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-yl-ethyl]phenyl]propanoate Openeye Name: methyl 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-yl-ethyl]phenyl]propanoate CAS Name: 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-(1-imidazolyl)ethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-ylethyl]phenyl]propanoate Traditional Name: 3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-yl-ethyl]phenyl]propionic acid methyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)N3C=CN=C3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)N3C=CN=C3

InChI

InChI=1S/C21H22ClN3O4S/c1-29-21(26)11-4-16-2-5-17(6-3-16)20(25-13-12-23-15-25)14-24-30(27,28)19-9-7-18(22)8-10-19/h2-3,5-10,12-13,15,20,24H,4,11,14H2,1H3