8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]octanoic acid

Systemtic Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]octanoic acid Openeye Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]octanoic acid CAS Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]octanoic acid IUPAC Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]octanoic acid Traditional Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]caprylic acid Formula: C20H27ClN4O5S MolecularWeight: 470.97018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NC(CN2C=CN=C2)C(=O)NCCCCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NC(CN2C=CN=C2)C(=O)NCCCCCCCC(=O)O)Cl

InChI

InChI=1S/C20H27ClN4O5S/c21-16-7-9-17(10-8-16)31(29,30)24-18(14-25-13-12-22-15-25)20(28)23-11-5-3-1-2-4-6-19(26)27/h7-10,12-13,15,18,24H,1-6,11,14H2,(H,23,28)(H,26,27)