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

Systemtic Name: methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-imidazol-1-yl-ethyl]phenyl]butanoate Openeye Name: methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-imidazol-1-yl-ethyl]phenyl]butanoate CAS Name: 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-(1-imidazolyl)ethyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-imidazol-1-ylethyl]phenyl]butanoate Traditional Name: 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-imidazol-1-yl-ethyl]phenyl]butyric acid methyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O4S/c1-30-22(27)4-2-3-17-5-7-18(8-6-17)21(15-26-14-13-24-16-26)25-31(28,29)20-11-9-19(23)10-12-20/h5-14,16,21,25H,2-4,15H2,1H3