1-[4-(butylamino)-3-butylsulfinyl-pyridin-2-yl]oxypropan-2-yl 3-chloranylbenzoate

Systemtic Name: 1-[4-(butylamino)-3-butylsulfinyl-pyridin-2-yl]oxypropan-2-yl 3-chloranylbenzoate Openeye Name: [2-[[4-(butylamino)-3-butylsulfinyl-2-pyridyl]oxy]-1-methyl-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 1-[[4-(butylamino)-3-butylsulfinyl-2-pyridinyl]oxy]propan-2-yl ester IUPAC Name: 1-[4-(butylamino)-3-butylsulfinylpyridin-2-yl]oxypropan-2-yl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-[[4-(butylamino)-3-butylsulfinyl-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C23H31ClN2O4S MolecularWeight: 467.02124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=C1)OCC(C)OC(=O)C2=CC(=CC=C2)Cl)S(=O)CCCC

Isomeric SMILES

CCCCNC1=C(C(=NC=C1)OCC(C)OC(=O)C2=CC(=CC=C2)Cl)S(=O)CCCC

InChI

InChI=1S/C23H31ClN2O4S/c1-4-6-12-25-20-11-13-26-22(21(20)31(28)14-7-5-2)29-16-17(3)30-23(27)18-9-8-10-19(24)15-18/h8-11,13,15,17H,4-7,12,14,16H2,1-3H3,(H,25,26)