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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S2/c26-21(29-15-19-16-30-22(24-19)23-18-9-3-1-4-10-18)17-8-7-11-20(14-17)31(27,28)25-12-5-2-6-13-25/h1,3-4,7-11,14,16H,2,5-6,12-13,15H2,(H,23,24)