4-azanylbenzenecarboximidamide; phenylmethanesulfonic acid

Systemtic Name: 4-azanylbenzenecarboximidamide; phenylmethanesulfonic acid Openeye Name: 4-aminobenzamidine; phenylmethanesulfonic acid CAS Name: 4-aminobenzenecarboximidamide; phenylmethanesulfonic acid IUPAC Name: 4-aminobenzenecarboximidamide; phenylmethanesulfonic acid Traditional Name: 4-aminobenzamidine; phenylmethanesulfonic acid Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC(=CC=C1C(=N)N)N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC(=CC=C1C(=N)N)N

InChI

InChI=1S/C7H9N3.2C7H8O3S/c8-6-3-1-5(2-4-6)7(9)10;2*8-11(9,10)6-7-4-2-1-3-5-7/h1-4H,8H2,(H3,9,10);2*1-5H,6H2,(H,8,9,10)