4-(3-imidazol-1-ylpropyl)-8-(phenylsulfonylamino)octanoic acid

Systemtic Name: 4-(3-imidazol-1-ylpropyl)-8-(phenylsulfonylamino)octanoic acid Openeye Name: 8-(benzenesulfonamido)-4-(3-imidazol-1-ylpropyl)octanoic acid CAS Name: 8-(benzenesulfonamido)-4-[3-(1-imidazolyl)propyl]octanoic acid IUPAC Name: 8-(benzenesulfonamido)-4-(3-imidazol-1-ylpropyl)octanoic acid Traditional Name: 8-(benzenesulfonamido)-4-(3-imidazol-1-ylpropyl)caprylic acid Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c24-20(25)12-11-18(8-6-15-23-16-14-21-17-23)7-4-5-13-22-28(26,27)19-9-2-1-3-10-19/h1-3,9-10,14,16-18,22H,4-8,11-13,15H2,(H,24,25)