1-[3-methylidene-5-(phenylmethyl)-5-(phenylsulfonyl)-4H-1-benzoxepin-7-yl]ethanone

Systemtic Name: 1-[3-methylidene-5-(phenylmethyl)-5-(phenylsulfonyl)-4H-1-benzoxepin-7-yl]ethanone Openeye Name: 1-[5-(benzenesulfonyl)-5-benzyl-3-methylene-4H-1-benzoxepin-7-yl]ethanone CAS Name: 1-[5-(benzenesulfonyl)-3-methylene-5-(phenylmethyl)-4H-1-benzoxepin-7-yl]ethanone IUPAC Name: 1-[5-(benzenesulfonyl)-5-benzyl-3-methylidene-4H-1-benzoxepin-7-yl]ethanone Traditional Name: 1-(5-benzyl-5-besyl-3-methylene-4H-1-benzoxepin-7-yl)ethanone Formula: C26H24O4S MolecularWeight: 432.53136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=C)CC2(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=C)CC2(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24O4S/c1-19-16-26(17-21-9-5-3-6-10-21,31(28,29)23-11-7-4-8-12-23)24-15-22(20(2)27)13-14-25(24)30-18-19/h3-15H,1,16-18H2,2H3