2-[1-[4-(2-methoxyethoxy)-3-methyl-phenyl]sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(2-methoxyethoxy)-3-methyl-phenyl]sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(2-methoxyethoxy)-3-methyl-phenyl]sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(2-methoxyethoxy)-3-methyl-phenyl]sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C22H26N2O4S2 MolecularWeight: 446.58284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S2/c1-16-14-18(9-10-20(16)28-13-12-27-2)30(25,26)24-11-5-6-17(15-24)22-23-19-7-3-4-8-21(19)29-22/h3-4,7-10,14,17H,5-6,11-13,15H2,1-2H3