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

Systemtic Name: 5-chloranyl-N-[3-(phenylmethyl)sulfonylpropyl]-2-piperidin-1-yl-pyrimidine-4-carboxamide Openeye Name: N-(3-benzylsulfonylpropyl)-5-chloro-2-(1-piperidyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(phenylmethyl)sulfonylpropyl]-2-(1-piperidinyl)-4-pyrimidinecarboxamide IUPAC Name: N-(3-benzylsulfonylpropyl)-5-chloro-2-piperidin-1-ylpyrimidine-4-carboxamide Traditional Name: N-(3-benzylsulfonylpropyl)-5-chloro-2-piperidino-pyrimidine-4-carboxamide Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)NCCCS(=O)(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)NCCCS(=O)(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O3S/c21-17-14-23-20(25-11-5-2-6-12-25)24-18(17)19(26)22-10-7-13-29(27,28)15-16-8-3-1-4-9-16/h1,3-4,8-9,14H,2,5-7,10-13,15H2,(H,22,26)