N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide

Systemtic Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-[3-[2,3-dihydrobenzofuran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-methyl-propyl]-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-[4-[2,3-dihydrobenzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-[3-[coumaran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-methyl-propyl]-3-mesyl-2-methyl-propionamide Formula: C21H34N2O7S2 MolecularWeight: 490.63386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(C)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C1=CC2=C(C=C1)OCC2

Isomeric SMILES

CC(C)CN(CC(C(C)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C1=CC2=C(C=C1)OCC2

InChI

InChI=1S/C21H34N2O7S2/c1-14(2)11-23(32(28,29)18-6-7-20-17(10-18)8-9-30-20)12-19(24)16(4)22-21(25)15(3)13-31(5,26)27/h6-7,10,14-16,19,24H,8-9,11-13H2,1-5H3,(H,22,25)