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

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-tosyl-propionamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3S2/c1-13-6-8-15(9-7-13)31(28,29)11-10-19(27)23-18-12-14(2)25-26(18)21-24-20-16(22)4-3-5-17(20)30-21/h3-9,12H,10-11H2,1-2H3,(H,23,27)