2-[2-(1,3-benzodioxol-5-yl)propan-2-yl-(phenylmethyl)amino]-1-(3-methylsulfonyl-4-phenylmethoxy-phenyl)ethanone

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)propan-2-yl-(phenylmethyl)amino]-1-(3-methylsulfonyl-4-phenylmethoxy-phenyl)ethanone Openeye Name: 2-[[1-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-benzyl-amino]-1-(4-benzyloxy-3-methylsulfonyl-phenyl)ethanone CAS Name: 2-[2-(1,3-benzodioxol-5-yl)propan-2-yl-(phenylmethyl)amino]-1-(3-methylsulfonyl-4-phenylmethoxyphenyl)ethanone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)propan-2-yl-benzylamino]-1-(3-methylsulfonyl-4-phenylmethoxyphenyl)ethanone Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-benzyl-amino]-1-(4-benzoxy-3-mesyl-phenyl)ethanone Formula: C33H33NO6S MolecularWeight: 571.68322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3)CC(=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3)CC(=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C33H33NO6S/c1-33(2,27-15-17-29-31(19-27)40-23-39-29)34(20-24-10-6-4-7-11-24)21-28(35)26-14-16-30(32(18-26)41(3,36)37)38-22-25-12-8-5-9-13-25/h4-19H,20-23H2,1-3H3