8-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid

Systemtic Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid Openeye Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid CAS Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-[3-(1-imidazolyl)propyl]octanoic acid IUPAC Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid Traditional Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)caprylic acid Formula: C20H27Cl2N3O4S MolecularWeight: 476.41708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O)Cl)Cl

InChI

InChI=1S/C20H27Cl2N3O4S/c21-18-8-7-17(14-19(18)22)30(28,29)24-10-2-1-4-16(6-9-20(26)27)5-3-12-25-13-11-23-15-25/h7-8,11,13-16,24H,1-6,9-10,12H2,(H,26,27)