12-[[2-(3-chlorophenyl)-4-(phenylcarbonyl)phenyl]sulfonylamino]dodecanoic acid

Systemtic Name: 12-[[2-(3-chlorophenyl)-4-(phenylcarbonyl)phenyl]sulfonylamino]dodecanoic acid Openeye Name: 12-[[4-benzoyl-2-(3-chlorophenyl)phenyl]sulfonylamino]dodecanoic acid CAS Name: 12-[[4-benzoyl-2-(3-chlorophenyl)phenyl]sulfonylamino]dodecanoic acid IUPAC Name: 12-[[4-benzoyl-2-(3-chlorophenyl)phenyl]sulfonylamino]dodecanoic acid Traditional Name: 12-[[4-benzoyl-2-(3-chlorophenyl)phenyl]sulfonylamino]lauric acid Formula: C31H36ClNO5S MolecularWeight: 570.13924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)NCCCCCCCCCCCC(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)NCCCCCCCCCCCC(=O)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C31H36ClNO5S/c32-27-17-13-16-25(22-27)28-23-26(31(36)24-14-9-8-10-15-24)19-20-29(28)39(37,38)33-21-12-7-5-3-1-2-4-6-11-18-30(34)35/h8-10,13-17,19-20,22-23,33H,1-7,11-12,18,21H2,(H,34,35)