N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C23H21FN4O3S3 MolecularWeight: 516.631243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)F)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)F)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H21FN4O3S3/c24-17-8-9-18-20(13-17)33-23(26-18)27(15-16-5-3-10-25-14-16)22(29)19-6-1-2-11-28(19)34(30,31)21-7-4-12-32-21/h3-5,7-10,12-14,19H,1-2,6,11,15H2