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

Systemtic Name: [4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone Openeye Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone CAS Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4-ethylsulfonylphenyl)methanone IUPAC Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone Traditional Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]-(4-esylphenyl)methanone Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S2/c1-2-29(26,27)16-6-3-14(4-7-16)19(25)23-9-11-24(12-10-23)20-22-17-8-5-15(21)13-18(17)28-20/h3-8,13H,2,9-12H2,1H3