2-[2-(3-azanylpropylamino)-5-nitro-phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[2-(3-azanylpropylamino)-5-nitro-phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[2-(3-aminopropylamino)-5-nitro-phenyl]sulfonylethanesulfonic acid CAS Name: 2-[2-(3-aminopropylamino)-5-nitrophenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[2-(3-aminopropylamino)-5-nitrophenyl]sulfonylethanesulfonic acid Traditional Name: 2-[2-(3-aminopropylamino)-5-nitro-phenyl]sulfonylethanesulfonic acid Formula: C11H17N3O7S2 MolecularWeight: 367.39858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O7S2/c12-4-1-5-13-10-3-2-9(14(15)16)8-11(10)22(17,18)6-7-23(19,20)21/h2-3,8,13H,1,4-7,12H2,(H,19,20,21)