1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)piperidino]sulfonylphenyl]ethanone Formula: C20H20N2O3S2 MolecularWeight: 400.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O3S2/c1-14(23)15-7-6-8-16(13-15)27(24,25)22-12-5-4-10-18(22)20-21-17-9-2-3-11-19(17)26-20/h2-3,6-9,11,13,18H,4-5,10,12H2,1H3/t18-/m0/s1