[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-[[4-(3-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C23H21BrClN3O5S2 MolecularWeight: 598.91694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H21BrClN3O5S2/c24-16-6-4-5-15(11-16)20-14-34-23(26-20)27-21(29)13-33-22(30)18-12-17(7-8-19(18)25)35(31,32)28-9-2-1-3-10-28/h4-8,11-12,14H,1-3,9-10,13H2,(H,26,27,29)