[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone

Systemtic Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone Openeye Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone CAS Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-ethylsulfonylphenyl)methanone IUPAC Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone Traditional Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-(2-esylphenyl)methanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=CC(=CC(=C4S3)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=CC(=CC(=C4S3)C)C

InChI

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