(4-nitro-2-thiophen-2-yl-phenyl) 5-(acetamidomethyl)thiophene-2-sulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 5-(acetamidomethyl)thiophene-2-sulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 5-(acetamidomethyl)thiophene-2-sulfonate CAS Name: 5-(acetamidomethyl)-2-thiophenesulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate Traditional Name: 5-(acetamidomethyl)thiophene-2-sulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C17H14N2O6S3 MolecularWeight: 438.49786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H14N2O6S3/c1-11(20)18-10-13-5-7-17(27-13)28(23,24)25-15-6-4-12(19(21)22)9-14(15)16-3-2-8-26-16/h2-9H,10H2,1H3,(H,18,20)