2-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-ethylphenyl)-1-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C22H25N3O3S2/c1-3-16-7-9-17(10-8-16)15-20(26)24-11-13-25(14-12-24)22-23-21-18(29-22)5-4-6-19(21)30(2,27)28/h4-10H,3,11-15H2,1-2H3