N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)isonipecotamide Formula: C27H27FN4O4S2 MolecularWeight: 554.656083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

InChI

InChI=1S/C27H27FN4O4S2/c1-2-36-21-9-10-23-24(16-21)37-27(30-23)32(18-19-6-5-13-29-17-19)26(33)20-11-14-31(15-12-20)38(34,35)25-8-4-3-7-22(25)28/h3-10,13,16-17,20H,2,11-12,14-15,18H2,1H3