3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzenesulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzenesulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzenesulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzenesulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzenesulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzenesulfonamide Formula: C23H27N5O3S MolecularWeight: 453.55718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CNC2=CC(=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(N=CN1)CNC2=CC(=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C23H27N5O3S/c1-16-22(26-15-25-16)13-24-20-10-19(11-21(12-20)32(30,31)27(2)3)23(29)28-9-8-17-6-4-5-7-18(17)14-28/h4-7,10-12,15,24H,8-9,13-14H2,1-3H3,(H,25,26)