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

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

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F)C

InChI

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