[(3-aminophenyl)-[phenyl(sulfo)methyl]amino]-phenyl-methanesulfonic acid

Systemtic Name: [(3-aminophenyl)-[phenyl(sulfo)methyl]amino]-phenyl-methanesulfonic acid Openeye Name: (3-amino-N-[phenyl(sulfo)methyl]anilino)-phenyl-methanesulfonic acid CAS Name: (3-amino-N-[phenyl(sulfo)methyl]anilino)-phenylmethanesulfonic acid IUPAC Name: (3-amino-N-[phenyl(sulfo)methyl]anilino)-phenylmethanesulfonic acid Traditional Name: (3-amino-N-[phenyl(sulfo)methyl]anilino)-phenyl-methanesulfonic acid Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S2/c21-17-12-7-13-18(14-17)22(19(29(23,24)25)15-8-3-1-4-9-15)20(30(26,27)28)16-10-5-2-6-11-16/h1-14,19-20H,21H2,(H,23,24,25)(H,26,27,28)