phenyl 3,5-bis(azanyl)-4-methyl-benzenesulfonate

Systemtic Name: phenyl 3,5-bis(azanyl)-4-methyl-benzenesulfonate Openeye Name: phenyl 3,5-diamino-4-methyl-benzenesulfonate CAS Name: 3,5-diamino-4-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3,5-diamino-4-methylbenzenesulfonate Traditional Name: 3,5-diamino-4-methyl-benzenesulfonic acid phenyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)OC2=CC=CC=C2)N

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)OC2=CC=CC=C2)N

InChI

InChI=1S/C13H14N2O3S/c1-9-12(14)7-11(8-13(9)15)19(16,17)18-10-5-3-2-4-6-10/h2-8H,14-15H2,1H3