[3,4-bis(azanyl)phenyl] 4-chloranyl-3,5-dimethyl-benzenesulfonate

Systemtic Name: [3,4-bis(azanyl)phenyl] 4-chloranyl-3,5-dimethyl-benzenesulfonate Openeye Name: (3,4-diaminophenyl) 4-chloro-3,5-dimethyl-benzenesulfonate CAS Name: 4-chloro-3,5-dimethylbenzenesulfonic acid (3,4-diaminophenyl) ester IUPAC Name: (3,4-diaminophenyl) 4-chloro-3,5-dimethylbenzenesulfonate Traditional Name: 4-chloro-3,5-dimethyl-benzenesulfonic acid (3,4-diaminophenyl) ester Formula: C14H15ClN2O3S MolecularWeight: 326.7985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)S(=O)(=O)OC2=CC(=C(C=C2)N)N

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)S(=O)(=O)OC2=CC(=C(C=C2)N)N

InChI

InChI=1S/C14H15ClN2O3S/c1-8-5-11(6-9(2)14(8)15)21(18,19)20-10-3-4-12(16)13(17)7-10/h3-7H,16-17H2,1-2H3