N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)isonipecotamide Formula: C27H27FN4O3S2 MolecularWeight: 538.656683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F)C

InChI

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