2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzothiazole Openeye Name: 2-[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-1,3-benzothiazole CAS Name: 2-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzothiazole Traditional Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylphenyl]-1,3-benzothiazole Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H22N2O2S2/c1-14-11-15(2)13-22(12-14)26(23,24)17-9-7-16(8-10-17)20-21-18-5-3-4-6-19(18)25-20/h3-10,14-15H,11-13H2,1-2H3/t14-,15-/m0/s1