[4-(thiophen-2-ylcarbonylamino)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid [4-(2-thenoylamino)phenyl] ester Formula: C19H16N2O6S2 MolecularWeight: 432.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6S2/c1-12-10-15(21(23)24)11-18(13(12)2)29(25,26)27-16-7-5-14(6-8-16)20-19(22)17-4-3-9-28-17/h3-11H,1-2H3,(H,20,22)