N-[4-[4-(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(2-methyl-6-pyrrolidino-pyrimidin-4-yl)piperazino]sulfonylphenyl]acetamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)N4CCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)N4CCCC4

InChI

InChI=1S/C21H28N6O3S/c1-16-22-20(25-9-3-4-10-25)15-21(23-16)26-11-13-27(14-12-26)31(29,30)19-7-5-18(6-8-19)24-17(2)28/h5-8,15H,3-4,9-14H2,1-2H3,(H,24,28)