[2-[bis(azanyl)methylideneamino]phenyl]sulfonyl 3-(2-aminophenyl)propanoate

Systemtic Name: [2-[bis(azanyl)methylideneamino]phenyl]sulfonyl 3-(2-aminophenyl)propanoate Openeye Name: (2-guanidinophenyl)sulfonyl 3-(2-aminophenyl)propanoate CAS Name: 3-(2-aminophenyl)propanoic acid [2-(diaminomethylideneamino)phenyl]sulfonyl ester IUPAC Name: [2-(diaminomethylideneamino)phenyl]sulfonyl 3-(2-aminophenyl)propanoate Traditional Name: 3-(2-aminophenyl)propionic acid (2-guanidinophenyl)sulfonyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)OS(=O)(=O)C2=CC=CC=C2N=C(N)N)N

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)OS(=O)(=O)C2=CC=CC=C2N=C(N)N)N

InChI

InChI=1S/C16H18N4O4S/c17-12-6-2-1-5-11(12)9-10-15(21)24-25(22,23)14-8-4-3-7-13(14)20-16(18)19/h1-8H,9-10,17H2,(H4,18,19,20)