N-[1-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperidin-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-[3-(pyrimidin-2-ylamino)benzoyl]-4-piperidyl]thiophene-2-sulfonamide CAS Name: N-[1-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-4-piperidinyl]-2-thiophenesulfonamide IUPAC Name: N-[1-[3-(pyrimidin-2-ylamino)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-[3-(2-pyrimidylamino)benzoyl]-4-piperidyl]thiophene-2-sulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C20H21N5O3S2/c26-19(15-4-1-5-17(14-15)23-20-21-9-3-10-22-20)25-11-7-16(8-12-25)24-30(27,28)18-6-2-13-29-18/h1-6,9-10,13-14,16,24H,7-8,11-12H2,(H,21,22,23)