5-chloranyl-N-[3-(phenylmethyl)sulfonylpropyl]-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(phenylmethyl)sulfonylpropyl]-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide Openeye Name: N-(3-benzylsulfonylpropyl)-5-chloro-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(phenylmethyl)sulfonylpropyl]-2-(1-pyrrolidinyl)-4-pyrimidinecarboxamide IUPAC Name: N-(3-benzylsulfonylpropyl)-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide Traditional Name: N-(3-benzylsulfonylpropyl)-5-chloro-2-pyrrolidino-pyrimidine-4-carboxamide Formula: C19H23ClN4O3S MolecularWeight: 422.92892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C(=N2)C(=O)NCCCS(=O)(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=C(C(=N2)C(=O)NCCCS(=O)(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H23ClN4O3S/c20-16-13-22-19(24-10-4-5-11-24)23-17(16)18(25)21-9-6-12-28(26,27)14-15-7-2-1-3-8-15/h1-3,7-8,13H,4-6,9-12,14H2,(H,21,25)