4-(azepan-1-ylsulfonyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C25H26FN5O3S2 MolecularWeight: 527.634043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=CC=C5S4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=CC=C5S4)F

InChI

InChI=1S/C25H26FN5O3S2/c26-21-7-5-8-22-23(21)28-25(35-22)31(18-17-29-14-6-13-27-29)24(32)19-9-11-20(12-10-19)36(33,34)30-15-3-1-2-4-16-30/h5-14H,1-4,15-18H2