N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-isonipecotamide Formula: C28H28FN3O4S2 MolecularWeight: 553.668023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

InChI

InChI=1S/C28H28FN3O4S2/c1-2-36-23-12-8-13-24-26(23)30-28(37-24)32(19-20-9-4-3-5-10-20)27(33)21-15-17-31(18-16-21)38(34,35)25-14-7-6-11-22(25)29/h3-14,21H,2,15-19H2,1H3