1-[4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[(2S)-2-(1,3-benzothiazol-2-yl)piperidino]sulfonylphenyl]ethanone Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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