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

Systemtic Name: 1-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[[3-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[3-(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)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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