3-[3-[[(4-phenylphenyl)methyl-(phenylsulfonyl)amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[(4-phenylphenyl)methyl-(phenylsulfonyl)amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzenesulfonyl-[(4-phenylphenyl)methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[benzenesulfonyl-[(4-phenylphenyl)methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[benzenesulfonyl-[(4-phenylphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[besyl-(4-phenylbenzyl)amino]methyl]phenyl]propionic acid Formula: C29H27NO4S MolecularWeight: 485.59398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CCC(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CCC(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27NO4S/c31-29(32)19-16-23-8-7-9-25(20-23)22-30(35(33,34)28-12-5-2-6-13-28)21-24-14-17-27(18-15-24)26-10-3-1-4-11-26/h1-15,17-18,20H,16,19,21-22H2,(H,31,32)