N-methyl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: N-methyl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: N-methyl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: N-methyl-3-[[4-[3-(1-pyrrolidinyl)propylamino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N-methyl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: N-methyl-3-[[4-(3-pyrrolidinopropylamino)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H26N6O2S MolecularWeight: 390.50304

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)NC2=NC=CC(=N2)NCCCN3CCCC3

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)NC2=NC=CC(=N2)NCCCN3CCCC3

InChI

InChI=1S/C18H26N6O2S/c1-19-27(25,26)16-7-4-6-15(14-16)22-18-21-10-8-17(23-18)20-9-5-13-24-11-2-3-12-24/h4,6-8,10,14,19H,2-3,5,9,11-13H2,1H3,(H2,20,21,22,23)