N-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-N-piperidin-4-yl-benzenesulfonamide

Systemtic Name: N-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-N-piperidin-4-yl-benzenesulfonamide Openeye Name: N-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-N-(4-piperidyl)benzenesulfonamide CAS Name: N-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-N-(4-piperidinyl)benzenesulfonamide IUPAC Name: N-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-N-piperidin-4-ylbenzenesulfonamide Traditional Name: N-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-N-(4-piperidyl)benzenesulfonamide Formula: C21H21ClN6O4S MolecularWeight: 488.94724

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNCCC1N(C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN6O4S/c22-15-6-8-16(9-7-15)25-21-24-14-19(28(29)30)20(26-21)27(17-10-12-23-13-11-17)33(31,32)18-4-2-1-3-5-18/h1-9,14,17,23H,10-13H2,(H,24,25,26)