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

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(p-tolylsulfonyl)butanamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-tosyl-butyramide Formula: C22H21ClN4O3S2 MolecularWeight: 489.01014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=CC(=NN2C3=NC4=C(S3)C=CC=C4Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=CC(=NN2C3=NC4=C(S3)C=CC=C4Cl)C

InChI

InChI=1S/C22H21ClN4O3S2/c1-14-8-10-16(11-9-14)32(29,30)12-4-7-20(28)24-19-13-15(2)26-27(19)22-25-21-17(23)5-3-6-18(21)31-22/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,24,28)