[4-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]phenyl]carbonylamino]phenyl] methanesulfonate

Systemtic Name: [4-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]phenyl]carbonylamino]phenyl] methanesulfonate Openeye Name: [4-[[4-[(2-thienylmethoxycarbonylamino)methyl]benzoyl]amino]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[oxo-[4-[[[oxo(thiophen-2-ylmethoxy)methyl]amino]methyl]phenyl]methyl]amino]phenyl] ester IUPAC Name: [4-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[4-[(2-thenyloxycarbonylamino)methyl]benzoyl]amino]phenyl] ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CC=CS3

InChI

InChI=1S/C21H20N2O6S2/c1-31(26,27)29-18-10-8-17(9-11-18)23-20(24)16-6-4-15(5-7-16)13-22-21(25)28-14-19-3-2-12-30-19/h2-12H,13-14H2,1H3,(H,22,25)(H,23,24)