5,5-dimethyl-2-[1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]-1,3,2$l^{5}-dioxaphosphinane 2-oxide

Systemtic Name: 5,5-dimethyl-2-[1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]-1,3,2$l^{5}-dioxaphosphinane 2-oxide Openeye Name: 5,5-dimethyl-2-[2-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-1-(4-methylsulfonylphenyl)ethyl]-1,3,2$l^{5}-dioxaphosphinane 2-oxide CAS Name: 5,5-dimethyl-2-[1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]ethyl]-1,3,2$l^{5}-dioxaphosphorinane 2-oxide IUPAC Name: 5,5-dimethyl-2-[1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]-1,3,2$l^{5}-dioxaphosphinane 2-oxide Traditional Name: 2-[2-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-1-(4-mesylphenyl)ethyl]-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphorinane 2-oxide Formula: C33H38NO7PS2 MolecularWeight: 655.761081

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COP(=O)(OC1)C(CC2=CC=CC(=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C5=CC=C(C=C5)S(=O)(=O)C)C

Isomeric SMILES

CC1(COP(=O)(OC1)C(CC2=CC=CC(=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C5=CC=C(C=C5)S(=O)(=O)C)C

InChI

InChI=1S/C33H38NO7PS2/c1-32(2)21-40-42(35,41-22-32)30(24-12-14-28(15-13-24)43(5,36)37)18-23-9-7-10-25(17-23)29-20-27(33(3,4)44(6,38)39)19-26-11-8-16-34-31(26)29/h7-17,19-20,30H,18,21-22H2,1-6H3