4-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-yl-ethyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-yl-ethyl]phenyl]butanoic acid Openeye Name: 4-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-yl-ethyl]phenyl]butanoic acid CAS Name: 4-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-(1-imidazolyl)ethyl]phenyl]butanoic acid IUPAC Name: 4-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-ylethyl]phenyl]butanoic acid Traditional Name: 4-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-imidazol-1-yl-ethyl]phenyl]butyric acid Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)N3C=CN=C3

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)N3C=CN=C3

InChI

InChI=1S/C21H22ClN3O4S/c22-18-8-10-19(11-9-18)30(28,29)24-14-20(25-13-12-23-15-25)17-6-4-16(5-7-17)2-1-3-21(26)27/h4-13,15,20,24H,1-3,14H2,(H,26,27)