[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone

Systemtic Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone Openeye Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone CAS Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4-ethylsulfonylphenyl)methanone IUPAC Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone Traditional Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-(4-esylphenyl)methanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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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(S3)C=C(C(=C4)C)C

Isomeric SMILES

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

InChI

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