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

Systemtic Name: 4-(3-imidazol-1-ylpropyl)-8-[(4-methylphenyl)sulfonylamino]octanoic acid Openeye Name: 4-(3-imidazol-1-ylpropyl)-8-(p-tolylsulfonylamino)octanoic acid CAS Name: 4-[3-(1-imidazolyl)propyl]-8-[(4-methylphenyl)sulfonylamino]octanoic acid IUPAC Name: 4-(3-imidazol-1-ylpropyl)-8-[(4-methylphenyl)sulfonylamino]octanoic acid Traditional Name: 4-(3-imidazol-1-ylpropyl)-8-(tosylamino)caprylic acid Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O

InChI

InChI=1S/C21H31N3O4S/c1-18-7-10-20(11-8-18)29(27,28)23-13-3-2-5-19(9-12-21(25)26)6-4-15-24-16-14-22-17-24/h7-8,10-11,14,16-17,19,23H,2-6,9,12-13,15H2,1H3,(H,25,26)