[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone

Systemtic Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone Openeye Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone CAS Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-ethylsulfonylphenyl)methanone IUPAC Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone Traditional Name: (2-esylphenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4S(=O)(=O)CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4S(=O)(=O)CC

InChI

InChI=1S/C22H25N3O3S2/c1-3-16-8-7-10-18-20(16)23-22(29-18)25-14-12-24(13-15-25)21(26)17-9-5-6-11-19(17)30(27,28)4-2/h5-11H,3-4,12-15H2,1-2H3