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

Systemtic Name: [4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone Openeye Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone CAS Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4-ethylsulfonylphenyl)methanone IUPAC Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone Traditional Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-(4-esylphenyl)methanone Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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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=CC(=C4C)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl

InChI

InChI=1S/C21H22ClN3O3S2/c1-3-30(27,28)16-6-4-15(5-7-16)20(26)24-10-12-25(13-11-24)21-23-19-14(2)17(22)8-9-18(19)29-21/h4-9H,3,10-13H2,1-2H3