4-[2-[2-[heptyl(quinolin-8-ylsulfonyl)amino]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[heptyl(quinolin-8-ylsulfonyl)amino]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[heptyl(8-quinolylsulfonyl)amino]phenyl]ethyl]benzoic acid CAS Name: 4-[2-[2-[heptyl(8-quinolinylsulfonyl)amino]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[heptyl(quinolin-8-ylsulfonyl)amino]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[heptyl(8-quinolylsulfonyl)amino]phenyl]ethyl]benzoic acid Formula: C31H34N2O4S MolecularWeight: 530.67766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCCCCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C31H34N2O4S/c1-2-3-4-5-8-23-33(38(36,37)29-15-9-12-26-13-10-22-32-30(26)29)28-14-7-6-11-25(28)19-16-24-17-20-27(21-18-24)31(34)35/h6-7,9-15,17-18,20-22H,2-5,8,16,19,23H2,1H3,(H,34,35)