N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

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