N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4-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(C=CC=C4S3)F)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)F)S(=O)(=O)C5=CC=CS5

InChI

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