N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CN=CC=C5

InChI

InChI=1S/C24H22N4O3S2/c29-23(17-10-13-28(14-11-17)33(30,31)20-7-4-12-25-16-20)26-19-6-3-5-18(15-19)24-27-21-8-1-2-9-22(21)32-24/h1-9,12,15-17H,10-11,13-14H2,(H,26,29)