4-bromanyl-3-methyl-N-[3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-3-methyl-N-[3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propyl]benzenesulfonamide Openeye Name: 4-bromo-3-methyl-N-[3-[methylsulfonyl(3-pyridylmethyl)amino]propyl]benzenesulfonamide CAS Name: 4-bromo-3-methyl-N-[3-[methylsulfonyl(3-pyridinylmethyl)amino]propyl]benzenesulfonamide IUPAC Name: 4-bromo-3-methyl-N-[3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propyl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-[mesyl(3-pyridylmethyl)amino]propyl]-3-methyl-benzenesulfonamide Formula: C17H22BrN3O4S2 MolecularWeight: 476.40828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCCN(CC2=CN=CC=C2)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCCN(CC2=CN=CC=C2)S(=O)(=O)C)Br

InChI

InChI=1S/C17H22BrN3O4S2/c1-14-11-16(6-7-17(14)18)27(24,25)20-9-4-10-21(26(2,22)23)13-15-5-3-8-19-12-15/h3,5-8,11-12,20H,4,9-10,13H2,1-2H3