4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 4-(3,5-dimethylpiperidino)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C26H28FN5O3S2 MolecularWeight: 541.660623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F)C

InChI

InChI=1S/C26H28FN5O3S2/c1-18-14-19(2)17-31(16-18)37(34,35)22-7-4-20(5-8-22)25(33)32(13-12-30-11-3-10-28-30)26-29-23-9-6-21(27)15-24(23)36-26/h3-11,15,18-19H,12-14,16-17H2,1-2H3