[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-isopropylsulfonylphenyl)methanone CAS Name: [4-(4-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazino]-(3-isopropylsulfonylphenyl)methanone Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H22FN3O3S2/c1-14(2)30(27,28)16-6-3-5-15(13-16)20(26)24-9-11-25(12-10-24)21-23-19-17(22)7-4-8-18(19)29-21/h3-8,13-14H,9-12H2,1-2H3