1-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one CAS Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(4-methoxyphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazino]-3-(4-methoxyphenyl)sulfonyl-propan-1-one Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H22FN3O4S2/c1-29-15-5-7-16(8-6-15)31(27,28)14-9-19(26)24-10-12-25(13-11-24)21-23-20-17(22)3-2-4-18(20)30-21/h2-8H,9-14H2,1H3