[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone

Systemtic Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone Openeye Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone CAS Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4-ethylsulfonylphenyl)methanone IUPAC Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone Traditional Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]-(4-esylphenyl)methanone Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4S3)OC)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4S3)OC)OC

InChI

InChI=1S/C22H25N3O5S2/c1-4-32(27,28)16-7-5-15(6-8-16)21(26)24-11-13-25(14-12-24)22-23-19-17(29-2)9-10-18(30-3)20(19)31-22/h5-10H,4,11-14H2,1-3H3