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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(4,5-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=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F)C

InChI

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