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

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-isonipecotamide Formula: C28H28FN3O3S2 MolecularWeight: 537.668623

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28FN3O3S2/c1-19-16-20(2)26-24(17-19)30-28(36-26)32(18-21-8-4-3-5-9-21)27(33)22-12-14-31(15-13-22)37(34,35)25-11-7-6-10-23(25)29/h3-11,16-17,22H,12-15,18H2,1-2H3