N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-(methylsulfonylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-(methylsulfonylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1R)-2-(1H-indol-3-yl)-1-methyl-ethyl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1R)-2-(1H-indol-3-yl)-1-methyl-ethyl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C

Isomeric SMILES

C[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C

InChI

InChI=1S/C20H20N4O3S2/c1-12(9-14-11-21-16-6-4-3-5-15(14)16)22-19(25)13-7-8-17-18(10-13)28-20(23-17)24-29(2,26)27/h3-8,10-12,21H,9H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1