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

Systemtic Name: N-[5-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]pentyl]-3-nitro-benzenesulfonamide Openeye Name: N-[5-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]pentyl]-3-nitro-benzenesulfonamide CAS Name: N-[5-[(5-bromo-2-chloro-4-pyrimidinyl)amino]pentyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[5-[(5-bromo-2-chloropyrimidin-4-yl)amino]pentyl]-3-nitrobenzenesulfonamide Traditional Name: N-[5-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]pentyl]-3-nitro-benzenesulfonamide Formula: C15H17BrClN5O4S MolecularWeight: 478.74858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17BrClN5O4S/c16-13-10-19-15(17)21-14(13)18-7-2-1-3-8-20-27(25,26)12-6-4-5-11(9-12)22(23)24/h4-6,9-10,20H,1-3,7-8H2,(H,18,19,21)