N-(4-fluoranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-tosyl-isonipecotamide Formula: C27H26FN3O3S2 MolecularWeight: 523.642043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CC=C3)C4=NC5=C(C=CC=C5S4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CC=C3)C4=NC5=C(C=CC=C5S4)F

InChI

InChI=1S/C27H26FN3O3S2/c1-19-10-12-22(13-11-19)36(33,34)30-16-14-21(15-17-30)26(32)31(18-20-6-3-2-4-7-20)27-29-25-23(28)8-5-9-24(25)35-27/h2-13,21H,14-18H2,1H3