N-[4-[(3-acetamidoacridin-9-yl)amino]phenyl]-N-methylsulfonyl-hexanamide

Systemtic Name: N-[4-[(3-acetamidoacridin-9-yl)amino]phenyl]-N-methylsulfonyl-hexanamide Openeye Name: N-[4-[(3-acetamidoacridin-9-yl)amino]phenyl]-N-methylsulfonyl-hexanamide CAS Name: N-[4-[(3-acetamido-9-acridinyl)amino]phenyl]-N-methylsulfonylhexanamide IUPAC Name: N-[4-[(3-acetamidoacridin-9-yl)amino]phenyl]-N-methylsulfonylhexanamide Traditional Name: N-[4-[(3-acetamidoacridin-9-yl)amino]phenyl]-N-mesyl-hexanamide Formula: C28H30N4O4S MolecularWeight: 518.6272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C)S(=O)(=O)C

Isomeric SMILES

CCCCCC(=O)N(C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C)S(=O)(=O)C

InChI

InChI=1S/C28H30N4O4S/c1-4-5-6-11-27(34)32(37(3,35)36)22-15-12-20(13-16-22)30-28-23-9-7-8-10-25(23)31-26-18-21(29-19(2)33)14-17-24(26)28/h7-10,12-18H,4-6,11H2,1-3H3,(H,29,33)(H,30,31)