2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[1-(3,4-dimethylphenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-(3,4-dimethylphenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[1-(3,4-dimethylphenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S2/c1-14-9-10-17(12-15(14)2)26(23,24)22-11-5-6-16(13-22)20-21-18-7-3-4-8-19(18)25-20/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3