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

Systemtic Name: 5-chloranyl-2-ethylsulfonyl-N-[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]pyrimidine-4-carboxamide Openeye Name: N-[4-[(4-benzyl-1-piperidyl)sulfonyl]phenyl]-5-chloro-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-ethylsulfonyl-N-[4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-4-pyrimidinecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-5-chloro-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)sulfonylphenyl]-5-chloro-2-esyl-pyrimidine-4-carboxamide Formula: C25H27ClN4O5S2 MolecularWeight: 563.08868

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H27ClN4O5S2/c1-2-36(32,33)25-27-17-22(26)23(29-25)24(31)28-20-8-10-21(11-9-20)37(34,35)30-14-12-19(13-15-30)16-18-6-4-3-5-7-18/h3-11,17,19H,2,12-16H2,1H3,(H,28,31)