3-[4-[3-[4-(4-chlorophenyl)-2-(phenylsulfonylamino)-1,3-thiazol-5-yl]propanoylamino]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[3-[4-(4-chlorophenyl)-2-(phenylsulfonylamino)-1,3-thiazol-5-yl]propanoylamino]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[3-[2-(benzenesulfonamido)-4-(4-chlorophenyl)thiazol-5-yl]propanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[[3-[2-(benzenesulfonamido)-4-(4-chlorophenyl)-5-thiazolyl]-1-oxopropyl]amino]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[3-[2-(benzenesulfonamido)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]propanoylamino]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[3-[2-(benzenesulfonamido)-4-(4-chlorophenyl)thiazol-5-yl]propanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C29H31ClN3O6PS2 MolecularWeight: 648.129701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(S2)NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(S2)NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)P(=O)(O)O

InChI

InChI=1S/C29H31ClN3O6PS2/c1-3-29(4-2,40(35,36)37)21-12-16-23(17-13-21)31-26(34)19-18-25-27(20-10-14-22(30)15-11-20)32-28(41-25)33-42(38,39)24-8-6-5-7-9-24/h5-17H,3-4,18-19H2,1-2H3,(H,31,34)(H,32,33)(H2,35,36,37)