12-[[3-[(4-chlorophenyl)-oxidanyl-methyl]phenyl]sulfonylamino]dodecanoic acid

Systemtic Name: 12-[[3-[(4-chlorophenyl)-oxidanyl-methyl]phenyl]sulfonylamino]dodecanoic acid Openeye Name: 12-[[3-[(4-chlorophenyl)-hydroxy-methyl]phenyl]sulfonylamino]dodecanoic acid CAS Name: 12-[[3-[(4-chlorophenyl)-hydroxymethyl]phenyl]sulfonylamino]dodecanoic acid IUPAC Name: 12-[[3-[(4-chlorophenyl)-hydroxymethyl]phenyl]sulfonylamino]dodecanoic acid Traditional Name: 12-[[3-[(4-chlorophenyl)-hydroxy-methyl]phenyl]sulfonylamino]lauric acid Formula: C25H34ClNO5S MolecularWeight: 496.05916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCCCCCCCCCC(=O)O)C(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCCCCCCCCCC(=O)O)C(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C25H34ClNO5S/c26-22-16-14-20(15-17-22)25(30)21-11-10-12-23(19-21)33(31,32)27-18-9-7-5-3-1-2-4-6-8-13-24(28)29/h10-12,14-17,19,25,27,30H,1-9,13,18H2,(H,28,29)