N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[[4-(4-cyanophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-4-nitro-benzenesulfonamide Formula: C22H18N8O4S MolecularWeight: 490.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=NC=C2C3=NC=CN3)NCCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2C3=NC=CN3)NCCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N8O4S/c23-13-15-1-3-16(4-2-15)20-19(21-24-9-10-25-21)14-27-22(29-20)26-11-12-28-35(33,34)18-7-5-17(6-8-18)30(31)32/h1-10,14,28H,11-12H2,(H,24,25)(H,26,27,29)