N-(1,3-benzodioxol-5-yl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine hydrobromide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine hydrobromide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[4-(1-piperidylsulfonyl)phenyl]thiazol-2-amine hydrobromide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazolamine hydrobromide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine hydrobromide Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-piperidinosulfonylphenyl)thiazol-2-yl]amine hydrobromide Formula: C21H22BrN3O4S2 MolecularWeight: 524.45108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4=CC5=C(C=C4)OCO5.Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4=CC5=C(C=C4)OCO5.Br

InChI

InChI=1S/C21H21N3O4S2.BrH/c25-30(26,24-10-2-1-3-11-24)17-7-4-15(5-8-17)18-13-29-21(23-18)22-16-6-9-19-20(12-16)28-14-27-19;/h4-9,12-13H,1-3,10-11,14H2,(H,22,23);1H