N'-[2-azanyl-1,2,2-tris[(2-nitrophenyl)sulfonyl]ethyl]propane-1,3-diamine

Systemtic Name: N'-[2-azanyl-1,2,2-tris[(2-nitrophenyl)sulfonyl]ethyl]propane-1,3-diamine Openeye Name: N'-[2-amino-1,2,2-tris[(2-nitrophenyl)sulfonyl]ethyl]propane-1,3-diamine CAS Name: N'-[2-amino-1,2,2-tris[(2-nitrophenyl)sulfonyl]ethyl]propane-1,3-diamine IUPAC Name: N'-[2-amino-1,2,2-tris[(2-nitrophenyl)sulfonyl]ethyl]propane-1,3-diamine Traditional Name: 3-aminopropyl-[2-amino-1,2,2-tris[(2-nitrophenyl)sulfonyl]ethyl]amine Formula: C23H24N6O12S3 MolecularWeight: 672.66466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C(C(N)(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NCCCN

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C(C(N)(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NCCCN

InChI

InChI=1S/C23H24N6O12S3/c24-14-7-15-26-22(42(36,37)19-11-4-1-8-16(19)27(30)31)23(25,43(38,39)20-12-5-2-9-17(20)28(32)33)44(40,41)21-13-6-3-10-18(21)29(34)35/h1-6,8-13,22,26H,7,14-15,24-25H2