N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-(6-ethyl-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:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

InChI

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