4-[2-azanyl-1-[5-[2-azanyl-1-(4-sulfophenyl)propyl]-1H-pyrrol-2-yl]propyl]benzenesulfonic acid

Systemtic Name: 4-[2-azanyl-1-[5-[2-azanyl-1-(4-sulfophenyl)propyl]-1H-pyrrol-2-yl]propyl]benzenesulfonic acid Openeye Name: 4-[2-amino-1-[5-[2-amino-1-(4-sulfophenyl)propyl]-1H-pyrrol-2-yl]propyl]benzenesulfonic acid CAS Name: 4-[2-amino-1-[5-[2-amino-1-(4-sulfophenyl)propyl]-1H-pyrrol-2-yl]propyl]benzenesulfonic acid IUPAC Name: 4-[2-amino-1-[5-[2-amino-1-(4-sulfophenyl)propyl]-1H-pyrrol-2-yl]propyl]benzenesulfonic acid Traditional Name: 4-[2-amino-1-[5-[2-amino-1-(4-sulfophenyl)propyl]-1H-pyrrol-2-yl]propyl]besylic acid Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)S(=O)(=O)O)C2=CC=C(N2)C(C3=CC=C(C=C3)S(=O)(=O)O)C(C)N)N

Isomeric SMILES

CC(C(C1=CC=C(C=C1)S(=O)(=O)O)C2=CC=C(N2)C(C3=CC=C(C=C3)S(=O)(=O)O)C(C)N)N

InChI

InChI=1S/C22H27N3O6S2/c1-13(23)21(15-3-7-17(8-4-15)32(26,27)28)19-11-12-20(25-19)22(14(2)24)16-5-9-18(10-6-16)33(29,30)31/h3-14,21-22,25H,23-24H2,1-2H3,(H,26,27,28)(H,29,30,31)