[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone

Systemtic Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: [3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(2-methyl-5-methylsulfonylphenyl)methanone IUPAC Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone Traditional Name: [3-(1,3-benzothiazol-2-yl)piperidino]-(5-mesyl-2-methyl-phenyl)methanone Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O3S2/c1-14-9-10-16(28(2,25)26)12-17(14)21(24)23-11-5-6-15(13-23)20-22-18-7-3-4-8-19(18)27-20/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3