3-[2-[(Z)-[azanyl(2-phenylethanoyl)azaniumylidene]methyl]phenyl]thiophene-2-sulfonate

Systemtic Name: 3-[2-[(Z)-[azanyl(2-phenylethanoyl)azaniumylidene]methyl]phenyl]thiophene-2-sulfonate Openeye Name: 3-[2-[(Z)-[amino-(2-phenylacetyl)iminio]methyl]phenyl]thiophene-2-sulfonate CAS Name: 3-[2-[(Z)-[amino-(1-oxo-2-phenylethyl)iminio]methyl]phenyl]-2-thiophenesulfonate IUPAC Name: 3-[2-[(Z)-[amino-(2-phenylacetyl)azaniumylidene]methyl]phenyl]thiophene-2-sulfonate Traditional Name: 3-[2-[(Z)-[amino-(2-phenylacetyl)iminio]methyl]phenyl]thiophene-2-sulfonate Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)[N+](=CC2=CC=CC=C2C3=C(SC=C3)S(=O)(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)/[N+](=C/C2=CC=CC=C2C3=C(SC=C3)S(=O)(=O)[O-])/N

InChI

InChI=1S/C19H16N2O4S2/c20-21(18(22)12-14-6-2-1-3-7-14)13-15-8-4-5-9-16(15)17-10-11-26-19(17)27(23,24)25/h1-11,13H,12,20H2/b21-13-