N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C21H18ClFN4O3S2 MolecularWeight: 492.974023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)F)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)F)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C21H18ClFN4O3S2/c1-13-12-18(27(26-13)21-25-20-16(22)4-2-5-17(20)31-21)24-19(28)6-3-11-32(29,30)15-9-7-14(23)8-10-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,24,28)