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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCCOC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCCOC

InChI

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