N-(2-dimethylaminoethyl)-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[[4-(4-nitrophenyl)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H22N6O4S MolecularWeight: 442.49148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4S/c1-25(2)14-13-22-31(29,30)18-9-5-16(6-10-18)23-20-21-12-11-19(24-20)15-3-7-17(8-4-15)26(27)28/h3-12,22H,13-14H2,1-2H3,(H,21,23,24)