(4-methoxyphenyl) 4-[bis(azanyl)methylideneamino]benzoate; 4-methylbenzenesulfonic acid

Systemtic Name: (4-methoxyphenyl) 4-[bis(azanyl)methylideneamino]benzoate; 4-methylbenzenesulfonic acid Openeye Name: (4-methoxyphenyl) 4-guanidinobenzoate; 4-methylbenzenesulfonic acid CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-methoxyphenyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: (4-methoxyphenyl) 4-(diaminomethylideneamino)benzoate; 4-methylbenzenesulfonic acid Traditional Name: 4-guanidinobenzoic acid (4-methoxyphenyl) ester; tosylic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C15H15N3O3.C7H8O3S/c1-20-12-6-8-13(9-7-12)21-14(19)10-2-4-11(5-3-10)18-15(16)17;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,1H3,(H4,16,17,18);2-5H,1H3,(H,8,9,10)