tert-butyl 2-[2,2-dimethyl-6-[[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]methyl]-1,3-dioxan-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[2,2-dimethyl-6-[[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]methyl]-1,3-dioxan-4-yl]ethanoate Openeye Name: tert-butyl 2-[6-[[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate CAS Name: 2-[6-[[4-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate Traditional Name: 2-[6-[[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester Formula: C41H50N2O8S MolecularWeight: 730.9093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)OCC5CC(OC(O5)(C)C)CC(=O)OC(C)(C)C)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)OCC5CC(OC(O5)(C)C)CC(=O)OC(C)(C)C)NS(=O)(=O)C

InChI

InChI=1S/C41H50N2O8S/c1-29-37(42-52(7,45)46)14-11-15-38(29)43(26-30-12-9-8-10-13-30)27-31-16-18-33(19-17-31)48-34-22-20-32(21-23-34)47-28-36-24-35(49-41(5,6)50-36)25-39(44)51-40(2,3)4/h8-23,35-36,42H,24-28H2,1-7H3