N,N-dimethyl-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[oxo-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-[4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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