N-[4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]propanamide

Systemtic Name: N-[4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]propanamide Openeye Name: N-[4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]propanamide CAS Name: N-[4-[[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]phenyl]propanamide IUPAC Name: N-[4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]propanamide Traditional Name: N-[4-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]sulfonylphenyl]propionamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

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