3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C24H25N5O3S2 MolecularWeight: 495.617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N5O3S2/c1-17-15-22(29(27-17)24-25-20-11-4-5-12-21(20)33-24)26-23(30)18-9-8-10-19(16-18)34(31,32)28-13-6-2-3-7-14-28/h4-5,8-12,15-16H,2-3,6-7,13-14H2,1H3,(H,26,30)