2-[tert-butyl-(phenylmethyl)amino]-1-(3-methylsulfonyl-4-phenylmethoxy-phenyl)ethanone

Systemtic Name: 2-[tert-butyl-(phenylmethyl)amino]-1-(3-methylsulfonyl-4-phenylmethoxy-phenyl)ethanone Openeye Name: 2-[benzyl(tert-butyl)amino]-1-(4-benzyloxy-3-methylsulfonyl-phenyl)ethanone CAS Name: 2-[tert-butyl-(phenylmethyl)amino]-1-(3-methylsulfonyl-4-phenylmethoxyphenyl)ethanone IUPAC Name: 2-[benzyl(tert-butyl)amino]-1-(3-methylsulfonyl-4-phenylmethoxyphenyl)ethanone Traditional Name: 1-(4-benzoxy-3-mesyl-phenyl)-2-[benzyl(tert-butyl)amino]ethanone Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C27H31NO4S/c1-27(2,3)28(18-21-11-7-5-8-12-21)19-24(29)23-15-16-25(26(17-23)33(4,30)31)32-20-22-13-9-6-10-14-22/h5-17H,18-20H2,1-4H3