(3-aminophenyl)-phenyl-methanesulfonic acid; azanyl(phenyl)methanesulfonic acid

Systemtic Name: (3-aminophenyl)-phenyl-methanesulfonic acid; azanyl(phenyl)methanesulfonic acid Openeye Name: amino(phenyl)methanesulfonic acid; (3-aminophenyl)-phenyl-methanesulfonic acid CAS Name: amino(phenyl)methanesulfonic acid; (3-aminophenyl)-phenylmethanesulfonic acid IUPAC Name: amino(phenyl)methanesulfonic acid; (3-aminophenyl)-phenylmethanesulfonic acid Traditional Name: amino(phenyl)methanesulfonic acid; (3-aminophenyl)-phenyl-methanesulfonic acid Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3S.C7H9NO3S/c14-12-8-4-7-11(9-12)13(18(15,16)17)10-5-2-1-3-6-10;8-7(12(9,10)11)6-4-2-1-3-5-6/h1-9,13H,14H2,(H,15,16,17);1-5,7H,8H2,(H,9,10,11)