2,5-bis[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-phosphono-pentanoic acid

Systemtic Name: 2,5-bis[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-phosphono-pentanoic acid Openeye Name: 2,5-bis[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-phosphono-pentanoic acid CAS Name: 2,5-bis[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-phosphonopentanoic acid IUPAC Name: 2,5-bis[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-phosphonopentanoic acid Traditional Name: 2,5-bis[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-phosphono-valeric acid Formula: C29H27Cl2N2O9PS2 MolecularWeight: 713.542441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)NC(CCC(NS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)NC(CCC(NS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C29H27Cl2N2O9PS2/c30-23-9-1-19(2-10-23)21-5-13-25(14-6-21)44(39,40)32-27(29(34)35)17-18-28(43(36,37)38)33-45(41,42)26-15-7-22(8-16-26)20-3-11-24(31)12-4-20/h1-16,27-28,32-33H,17-18H2,(H,34,35)(H2,36,37,38)