(E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoic acid

Systemtic Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoic acid Openeye Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoic acid CAS Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-[3-(1-imidazolyl)propyl]-2-octenoic acid IUPAC Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoic acid Traditional Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoic acid Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O4S/c21-18-7-9-19(10-8-18)29(27,28)23-12-2-1-4-17(6-11-20(25)26)5-3-14-24-15-13-22-16-24/h6-11,13,15-17,23H,1-5,12,14H2,(H,25,26)/b11-6+