N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-tosyl-nipecotamide Formula: C25H26FN5O3S2 MolecularWeight: 527.634043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C25H26FN5O3S2/c1-18-5-8-21(9-6-18)36(33,34)30-13-2-4-19(17-30)24(32)31(15-14-29-12-3-11-27-29)25-28-22-10-7-20(26)16-23(22)35-25/h3,5-12,16,19H,2,4,13-15,17H2,1H3