propan-2-yl (2S)-4-[2-[[2-ethyl-4-(2-methylsulfonylethyl)phenyl]amino]-3-methoxy-pyridin-4-yl]oxy-2-methyl-piperidine-1-carboxylate

Systemtic Name: propan-2-yl (2S)-4-[2-[[2-ethyl-4-(2-methylsulfonylethyl)phenyl]amino]-3-methoxy-pyridin-4-yl]oxy-2-methyl-piperidine-1-carboxylate Openeye Name: isopropyl (2S)-4-[[2-[2-ethyl-4-(2-methylsulfonylethyl)anilino]-3-methoxy-4-pyridyl]oxy]-2-methyl-piperidine-1-carboxylate CAS Name: (2S)-4-[[2-[2-ethyl-4-(2-methylsulfonylethyl)anilino]-3-methoxy-4-pyridinyl]oxy]-2-methyl-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-4-[2-[2-ethyl-4-(2-methylsulfonylethyl)anilino]-3-methoxypyridin-4-yl]oxy-2-methylpiperidine-1-carboxylate Traditional Name: (2S)-4-[[2-[2-ethyl-4-(2-mesylethyl)anilino]-3-methoxy-4-pyridyl]oxy]-2-methyl-piperidine-1-carboxylic acid isopropyl ester Formula: C27H39N3O6S MolecularWeight: 533.68006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CCS(=O)(=O)C)NC2=NC=CC(=C2OC)OC3CCN(C(C3)C)C(=O)OC(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CCS(=O)(=O)C)NC2=NC=CC(=C2OC)OC3CCN([C@H](C3)C)C(=O)OC(C)C

InChI

InChI=1S/C27H39N3O6S/c1-7-21-17-20(12-15-37(6,32)33)8-9-23(21)29-26-25(34-5)24(10-13-28-26)36-22-11-14-30(19(4)16-22)27(31)35-18(2)3/h8-10,13,17-19,22H,7,11-12,14-16H2,1-6H3,(H,28,29)/t19-,22?/m0/s1