N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-oxidanyl-benzamide

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-1-hydroxy-propyl]-3-hydroxy-2-methyl-benzamide CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxy-1-phenylbutan-2-yl]-3-hydroxy-2-methylbenzamide IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxy-1-phenylbutan-2-yl]-3-hydroxy-2-methylbenzamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-1-hydroxy-propyl]-3-hydroxy-2-methyl-benzamide Formula: C29H34N2O7S MolecularWeight: 554.65446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CCN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3)(CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CCN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3)(CC4=CC=CC=C4)O

InChI

InChI=1S/C29H34N2O7S/c1-20(2)18-31(39(35,36)23-12-13-26-27(16-23)38-19-37-26)15-14-29(34,17-22-8-5-4-6-9-22)30-28(33)24-10-7-11-25(32)21(24)3/h4-13,16,20,32,34H,14-15,17-19H2,1-3H3,(H,30,33)