N-[4-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-nitro-phenyl]benzenesulfonamide

Systemtic Name: N-[4-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-nitro-phenyl]benzenesulfonamide Openeye Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-nitro-phenyl]benzenesulfonamide CAS Name: N-[4-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-nitrophenyl]benzenesulfonamide IUPAC Name: N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-nitrophenyl]benzenesulfonamide Traditional Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-nitro-phenyl]benzenesulfonamide Formula: C23H22N6O4S MolecularWeight: 478.52358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O4S/c24-22-21-18(13-28(16-6-4-5-7-16)23(21)26-14-25-22)15-10-11-19(20(12-15)29(30)31)27-34(32,33)17-8-2-1-3-9-17/h1-3,8-14,16,27H,4-7H2,(H2,24,25,26)