N-[4-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethyl-pentyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]methanamide

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethyl-pentyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]methanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethyl-pentyl)amino]-1-benzyl-2-hydroxy-propyl]formamide CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethylpentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]formamide IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethylpentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]formamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethyl-pentyl)amino]-1-benzyl-2-hydroxy-propyl]formamide Formula: C26H33N3O6S MolecularWeight: 515.62172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC#N)CN(CC(C(CC1=CC=CC=C1)NC=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(CCCC#N)CN(CC(C(CC1=CC=CC=C1)NC=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C26H33N3O6S/c1-26(2,12-6-7-13-27)17-29(36(32,33)21-10-11-24-25(15-21)35-19-34-24)16-23(31)22(28-18-30)14-20-8-4-3-5-9-20/h3-5,8-11,15,18,22-23,31H,6-7,12,14,16-17,19H2,1-2H3,(H,28,30)