(2-phenylazanyl-1,3-thiazol-4-yl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: (2-anilinothiazol-4-yl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid (2-anilinothiazol-4-yl)methyl ester Formula: C22H21N5O4S3 MolecularWeight: 515.62824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CSC(=N2)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CSC(=N2)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H21N5O4S3/c28-21(31-13-16-14-32-22(24-16)23-15-7-2-1-3-8-15)18-10-4-5-12-27(18)34(29,30)19-11-6-9-17-20(19)26-33-25-17/h1-3,6-9,11,14,18H,4-5,10,12-13H2,(H,23,24)