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

Systemtic Name: 1-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]sulfonylphenyl]ethanone Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c1-15(24)16-5-4-6-17(13-16)28(25,26)23-11-9-22(10-12-23)14-20-21-18-7-2-3-8-19(18)27-20/h2-8,13H,9-12,14H2,1H3