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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

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