N-[6-(3-bicyclo[2.2.1]heptanylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]-3-methylsulfonyl-5-prop-2-enoxy-benzamide

Systemtic Name: N-[6-(3-bicyclo[2.2.1]heptanylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]-3-methylsulfonyl-5-prop-2-enoxy-benzamide Openeye Name: 3-allyloxy-N-[1-benzyl-2-hydroxy-4-methyl-5-(norbornan-2-ylamino)-5-oxo-pentyl]-5-methylsulfonyl-benzamide CAS Name: N-[6-(3-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-methylsulfonyl-5-prop-2-enoxybenzamide IUPAC Name: N-[6-(3-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-methylsulfonyl-5-prop-2-enoxybenzamide Traditional Name: 3-allyloxy-N-[1-benzyl-2-hydroxy-5-keto-4-methyl-5-(2-norbornylamino)pentyl]-5-mesyl-benzamide Formula: C31H40N2O6S MolecularWeight: 568.7241

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)C)OCC=C)O)C(=O)NC3CC4CCC3C4

Isomeric SMILES

CC(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)C)OCC=C)O)C(=O)NC3CC4CCC3C4

InChI

InChI=1S/C31H40N2O6S/c1-4-12-39-25-17-24(18-26(19-25)40(3,37)38)31(36)33-28(15-21-8-6-5-7-9-21)29(34)13-20(2)30(35)32-27-16-22-10-11-23(27)14-22/h4-9,17-20,22-23,27-29,34H,1,10-16H2,2-3H3,(H,32,35)(H,33,36)