2-[2-[[1-(phenylsulfonyl)indol-3-yl]methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[1-(phenylsulfonyl)indol-3-yl]methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[1-(benzenesulfonyl)indol-3-yl]methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[1-(benzenesulfonyl)-3-indolyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[1-(benzenesulfonyl)indol-3-yl]methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[(1-besylindol-3-yl)methylamino]propylamino]-4-quinolone Formula: C27H26N4O3S MolecularWeight: 486.58534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC(=O)C2=CC=CC=C2N1)NCC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(CNC1=CC(=O)C2=CC=CC=C2N1)NCC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3S/c1-19(16-29-27-15-26(32)23-12-5-7-13-24(23)30-27)28-17-20-18-31(25-14-8-6-11-22(20)25)35(33,34)21-9-3-2-4-10-21/h2-15,18-19,28H,16-17H2,1H3,(H2,29,30,32)