2-(4-ethylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-ethylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-ethylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-ethylphenyl)-1-[4-(6-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=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

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