(2-butyl-1-methylsulfonyl-indol-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone

Systemtic Name: (2-butyl-1-methylsulfonyl-indol-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone Openeye Name: (2-butyl-1-methylsulfonyl-indol-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone CAS Name: (2-butyl-1-methylsulfonyl-3-indolyl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone IUPAC Name: (2-butyl-1-methylsulfonylindol-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone Traditional Name: (2-butyl-1-mesyl-indol-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone Formula: C31H44N2O4S MolecularWeight: 540.75706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N1S(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N1S(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

InChI

InChI=1S/C31H44N2O4S/c1-5-8-15-29-30(27-14-11-12-16-28(27)33(29)38(4,35)36)31(34)25-17-19-26(20-18-25)37-24-13-23-32(21-9-6-2)22-10-7-3/h11-12,14,16-20H,5-10,13,15,21-24H2,1-4H3