N3-cyclopropyl-N1-[2-(2-hydroxyethylamino)-5-nitro-phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-cyclopropyl-N1-[2-(2-hydroxyethylamino)-5-nitro-phenyl]benzene-1,3-disulfonamide Openeye Name: N3-cyclopropyl-N1-[2-(2-hydroxyethylamino)-5-nitro-phenyl]benzene-1,3-disulfonamide CAS Name: N3-cyclopropyl-N1-[2-(2-hydroxyethylamino)-5-nitrophenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-cyclopropyl-1-N-[2-(2-hydroxyethylamino)-5-nitrophenyl]benzene-1,3-disulfonamide Traditional Name: N'-cyclopropyl-N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]benzene-1,3-disulfonamide Formula: C17H20N4O7S2 MolecularWeight: 456.4933

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H20N4O7S2/c22-9-8-18-16-7-6-13(21(23)24)10-17(16)20-30(27,28)15-3-1-2-14(11-15)29(25,26)19-12-4-5-12/h1-3,6-7,10-12,18-20,22H,4-5,8-9H2