N,N-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-4-pyrrolidin-1-yl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-4-pyrrolidin-1-yl-benzenesulfonamide Openeye Name: N,N-dimethyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyrrolidin-1-yl-benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N,N-dimethyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide Traditional Name: N,N-dimethyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]-4-pyrrolidino-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)N2CCCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

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