N-[(2S,3R)-4-(2-methylpropylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-1-benzofuran-5-sulfonamide

Systemtic Name: N-[(2S,3R)-4-(2-methylpropylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-1-benzofuran-5-sulfonamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]benzofuran-5-sulfonamide CAS Name: N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-5-benzofuransulfonamide IUPAC Name: N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]benzofuran-5-sulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC(C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC=C3)O

Isomeric SMILES

CC(C)CNC[C@H]([C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC=C3)O

InChI

InChI=1S/C22H28N2O4S/c1-16(2)14-23-15-21(25)20(12-17-6-4-3-5-7-17)24-29(26,27)19-8-9-22-18(13-19)10-11-28-22/h3-11,13,16,20-21,23-25H,12,14-15H2,1-2H3/t20-,21+/m0/s1