(2-ethyl-1,3-thiazol-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-ethylthiazol-4-yl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-ethylthiazol-4-yl)methyl ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H26N2O4S2/c1-2-19-21-17(15-27-19)14-26-20(23)11-8-16-6-9-18(10-7-16)28(24,25)22-12-4-3-5-13-22/h6-7,9-10,15H,2-5,8,11-14H2,1H3