(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4S2/c23-20-10-9-18(32(28,29)26-11-5-2-6-12-26)13-19(20)21(27)30-14-17-15-31-22(25-17)24-16-7-3-1-4-8-16/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,24,25)