N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide

Systemtic Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-[1-benzyl-3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-[1-benzyl-3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-3-mesyl-2-methyl-propionamide Formula: C27H38N2O8S2 MolecularWeight: 582.72922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C27H38N2O8S2/c1-19(2)16-29(39(34,35)22-10-11-25-26(15-22)37-13-12-36-25)17-24(30)23(14-21-8-6-5-7-9-21)28-27(31)20(3)18-38(4,32)33/h5-11,15,19-20,23-24,30H,12-14,16-18H2,1-4H3,(H,28,31)