N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C21H22FN3O5S2 MolecularWeight: 479.544883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O5S2/c1-29-16-9-10-17(30-2)19-18(16)23-21(31-19)24-20(26)13-4-3-11-25(12-13)32(27,28)15-7-5-14(22)6-8-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24,26)