[3-[(4-ethylphenyl)sulfonylcarbamoylamino]phenyl] 4-ethylbenzenesulfonate

Systemtic Name: [3-[(4-ethylphenyl)sulfonylcarbamoylamino]phenyl] 4-ethylbenzenesulfonate Openeye Name: [3-[(4-ethylphenyl)sulfonylcarbamoylamino]phenyl] 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonic acid [3-[[[(4-ethylphenyl)sulfonylamino]-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(4-ethylphenyl)sulfonylcarbamoylamino]phenyl] 4-ethylbenzenesulfonate Traditional Name: 4-ethylbenzenesulfonic acid [3-[(4-ethylphenyl)sulfonylcarbamoylamino]phenyl] ester Formula: C23H24N2O6S2 MolecularWeight: 488.57646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)CC

InChI

InChI=1S/C23H24N2O6S2/c1-3-17-8-12-21(13-9-17)32(27,28)25-23(26)24-19-6-5-7-20(16-19)31-33(29,30)22-14-10-18(4-2)11-15-22/h5-16H,3-4H2,1-2H3,(H2,24,25,26)