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

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]butanamide CAS Name: 4-(benzenesulfonyl)-N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]butanamide Traditional Name: 4-besyl-N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]butyramide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3S2/c1-14-13-18(26(25-14)21-24-20-16(22)9-5-10-17(20)30-21)23-19(27)11-6-12-31(28,29)15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,27)