1-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one CAS Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(4-methoxyphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(6-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(S3)C=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)F

InChI

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