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

Systemtic Name: 2-methyl-N-[4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]propanamide Openeye Name: 2-methyl-N-[4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]propanamide CAS Name: 2-methyl-N-[4-[[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]propanamide Traditional Name: 2-methyl-N-[4-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]sulfonylphenyl]propionamide Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O3S/c1-17(2)22(29)25-18-5-7-19(8-6-18)32(30,31)28-13-11-27(12-14-28)21-15-20(23-16-24-21)26-9-3-4-10-26/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,25,29)