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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)isonipecotamide Formula: C25H26FN5O4S2 MolecularWeight: 543.633443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C25H26FN5O4S2/c1-35-20-4-6-21(7-5-20)37(33,34)30-13-9-18(10-14-30)24(32)31(16-15-29-12-2-11-27-29)25-28-22-8-3-19(26)17-23(22)36-25/h2-8,11-12,17-18H,9-10,13-16H2,1H3