1-[[3-acetamido-4-[(3,5-dinitrothiophen-2-yl)diazenyl]phenyl]-ethyl-amino]ethyl benzenesulfonate

Systemtic Name: 1-[[3-acetamido-4-[(3,5-dinitrothiophen-2-yl)diazenyl]phenyl]-ethyl-amino]ethyl benzenesulfonate Openeye Name: 1-[3-acetamido-4-[(3,5-dinitro-2-thienyl)azo]-N-ethyl-anilino]ethyl benzenesulfonate CAS Name: benzenesulfonic acid 1-[3-acetamido-4-[(3,5-dinitro-2-thiophenyl)azo]-N-ethylanilino]ethyl ester IUPAC Name: 1-[3-acetamido-4-[(3,5-dinitrothiophen-2-yl)diazenyl]-N-ethylanilino]ethyl benzenesulfonate Traditional Name: benzenesulfonic acid 1-[3-acetamido-4-[(3,5-dinitro-2-thienyl)azo]-N-ethyl-anilino]ethyl ester Formula: C22H22N6O8S2 MolecularWeight: 562.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C=C1)N=NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)C(C)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC(=C(C=C1)N=NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)C(C)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N6O8S2/c1-4-26(15(3)36-38(34,35)17-8-6-5-7-9-17)16-10-11-18(19(12-16)23-14(2)29)24-25-22-20(27(30)31)13-21(37-22)28(32)33/h5-13,15H,4H2,1-3H3,(H,23,29)