[3,4-bis(azanyl)phenyl] 2-butylbenzenesulfonate

Systemtic Name: [3,4-bis(azanyl)phenyl] 2-butylbenzenesulfonate Openeye Name: (3,4-diaminophenyl) 2-butylbenzenesulfonate CAS Name: 2-butylbenzenesulfonic acid (3,4-diaminophenyl) ester IUPAC Name: (3,4-diaminophenyl) 2-butylbenzenesulfonate Traditional Name: 2-butylbenzenesulfonic acid (3,4-diaminophenyl) ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1S(=O)(=O)OC2=CC(=C(C=C2)N)N

Isomeric SMILES

CCCCC1=CC=CC=C1S(=O)(=O)OC2=CC(=C(C=C2)N)N

InChI

InChI=1S/C16H20N2O3S/c1-2-3-6-12-7-4-5-8-16(12)22(19,20)21-13-9-10-14(17)15(18)11-13/h4-5,7-11H,2-3,6,17-18H2,1H3