N-[3-[(2-chloranyl-5-cyano-pyrimidin-4-yl)amino]propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-[(2-chloranyl-5-cyano-pyrimidin-4-yl)amino]propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[(2-chloro-5-cyano-pyrimidin-4-yl)amino]propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[(2-chloro-5-cyano-4-pyrimidinyl)amino]propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[(2-chloro-5-cyanopyrimidin-4-yl)amino]propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[(2-chloro-5-cyano-pyrimidin-4-yl)amino]propyl]-3-nitro-benzenesulfonamide Formula: C14H13ClN6O4S MolecularWeight: 396.80882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2C#N)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2C#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN6O4S/c15-14-18-9-10(8-16)13(20-14)17-5-2-6-19-26(24,25)12-4-1-3-11(7-12)21(22)23/h1,3-4,7,9,19H,2,5-6H2,(H,17,18,20)