N-[3-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]propyl]-5-nitro-thiophene-2-sulfonamide

Systemtic Name: N-[3-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]propyl]-5-nitro-thiophene-2-sulfonamide Openeye Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]propyl]-5-nitro-thiophene-2-sulfonamide CAS Name: N-[3-[(5-bromo-2-chloro-4-pyrimidinyl)amino]propyl]-5-nitro-2-thiophenesulfonamide IUPAC Name: N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]-5-nitrothiophene-2-sulfonamide Traditional Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]propyl]-5-nitro-thiophene-2-sulfonamide Formula: C11H11BrClN5O4S2 MolecularWeight: 456.72314

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C(SC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H11BrClN5O4S2/c12-7-6-15-11(13)17-10(7)14-4-1-5-16-24(21,22)9-3-2-8(23-9)18(19)20/h2-3,6,16H,1,4-5H2,(H,14,15,17)