N-[3-cyano-4-[(2R)-3-[[1-(2-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]phenyl]-N-[1-[6-(methylamino)pyridin-2-yl]ethyl]methanesulfonamide

Systemtic Name: N-[3-cyano-4-[(2R)-3-[[1-(2-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]phenyl]-N-[1-[6-(methylamino)pyridin-2-yl]ethyl]methanesulfonamide Openeye Name: N-[3-cyano-4-[(2R)-2-hydroxy-3-[[2-(2-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]phenyl]-N-[1-[6-(methylamino)-2-pyridyl]ethyl]methanesulfonamide CAS Name: N-[3-cyano-4-[(2R)-2-hydroxy-3-[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]phenyl]-N-[1-[6-(methylamino)-2-pyridinyl]ethyl]methanesulfonamide IUPAC Name: N-[3-cyano-4-[(2R)-2-hydroxy-3-[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]phenyl]-N-[1-[6-(methylamino)pyridin-2-yl]ethyl]methanesulfonamide Traditional Name: N-[3-cyano-4-[(2R)-2-hydroxy-3-[[2-(2-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]phenyl]-N-[1-[6-(methylamino)-2-pyridyl]ethyl]methanesulfonamide Formula: C30H39N5O5S MolecularWeight: 581.72616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CC=C1)NC)N(C2=CC(=C(C=C2)OCC(CNC(C)(C)CC3=CC=CC=C3OC)O)C#N)S(=O)(=O)C

Isomeric SMILES

CC(C1=NC(=CC=C1)NC)N(C2=CC(=C(C=C2)OC[C@@H](CNC(C)(C)CC3=CC=CC=C3OC)O)C#N)S(=O)(=O)C

InChI

InChI=1S/C30H39N5O5S/c1-21(26-11-9-13-29(32-4)34-26)35(41(6,37)38)24-14-15-28(23(16-24)18-31)40-20-25(36)19-33-30(2,3)17-22-10-7-8-12-27(22)39-5/h7-16,21,25,33,36H,17,19-20H2,1-6H3,(H,32,34)/t21?,25-/m1/s1