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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-29-21(26)11-4-16-2-5-17(6-3-16)20(14-25-13-12-23-15-25)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