[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone

Systemtic Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone Openeye Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone CAS Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-ethylsulfonylphenyl)methanone IUPAC Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone Traditional Name: (2-esylphenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=CC=C4S(=O)(=O)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=CC=C4S(=O)(=O)CC

InChI

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