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

Systemtic Name: methyl 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]phenyl]propanoate Openeye Name: methyl 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]phenyl]propanoate CAS Name: 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]phenyl]propanoate Traditional Name: 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]phenyl]propionic acid methyl ester Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O5S/c1-32-21(28)11-4-16-2-7-18(8-3-16)25-22(29)20(14-27-13-12-24-15-27)26-33(30,31)19-9-5-17(23)6-10-19/h2-3,5-10,12-13,15,20,26H,4,11,14H2,1H3,(H,25,29)