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

Systemtic Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfonylphenyl)methanone Openeye Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfonylphenyl)methanone CAS Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-ethylsulfonylphenyl)methanone IUPAC Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfonylphenyl)methanone Traditional Name: (3-esylphenyl)-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)CC

InChI

InChI=1S/C22H25N3O4S2/c1-3-29-17-8-9-19-20(15-17)30-22(23-19)25-12-10-24(11-13-25)21(26)16-6-5-7-18(14-16)31(27,28)4-2/h5-9,14-15H,3-4,10-13H2,1-2H3