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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)isonipecotamide Formula: C27H27FN4O3S2 MolecularWeight: 538.656683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

InChI

InChI=1S/C27H27FN4O3S2/c1-2-20-8-5-10-23-25(20)30-27(36-23)32(18-19-7-6-14-29-17-19)26(33)21-12-15-31(16-13-21)37(34,35)24-11-4-3-9-22(24)28/h3-11,14,17,21H,2,12-13,15-16,18H2,1H3