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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C20H20FN3O3S2 MolecularWeight: 433.519503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O3S2/c21-15-5-7-16(8-6-15)29(26,27)24-11-9-14(10-12-24)20(25)22-13-19-23-17-3-1-2-4-18(17)28-19/h1-8,14H,9-13H2,(H,22,25)