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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-anilinothiazol-4-yl)methyl ester Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S2/c28-23(31-17-21-18-32-24(26-21)25-20-7-3-1-4-8-20)14-11-19-9-12-22(13-10-19)33(29,30)27-15-5-2-6-16-27/h1,3-4,7-10,12-13,18H,2,5-6,11,14-17H2,(H,25,26)