N-[3-(dimethylamino)propyl]-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: N-[3-(dimethylamino)propyl]-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: N-[3-(dimethylamino)propyl]-4-[[4-(4-nitrophenyl)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: N-[3-(dimethylamino)propyl]-4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O4S/c1-26(2)15-3-13-23-32(30,31)19-10-6-17(7-11-19)24-21-22-14-12-20(25-21)16-4-8-18(9-5-16)27(28)29/h4-12,14,23H,3,13,15H2,1-2H3,(H,22,24,25)