N-[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]phenyl]sulfonylbenzamide Openeye Name: N-[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]phenyl]sulfonylbenzamide CAS Name: N-[4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]phenyl]sulfonylbenzamide Traditional Name: N-[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]phenyl]sulfonylbenzamide Formula: C30H33N3O4S MolecularWeight: 531.66572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H33N3O4S/c1-3-5-9-23(4-2)29(34)31-26-15-14-24-18-19-33(28(24)20-26)21-22-12-16-27(17-13-22)38(36,37)32-30(35)25-10-7-6-8-11-25/h6-8,10-20,23H,3-5,9,21H2,1-2H3,(H,31,34)(H,32,35)