2-[2-[(E)-[azanyl(2-phenylethanoyl)azaniumylidene]methyl]phenyl]naphthalene-1-sulfonate

Systemtic Name: 2-[2-[(E)-[azanyl(2-phenylethanoyl)azaniumylidene]methyl]phenyl]naphthalene-1-sulfonate Openeye Name: 2-[2-[(E)-[amino-(2-phenylacetyl)iminio]methyl]phenyl]naphthalene-1-sulfonate CAS Name: 2-[2-[(E)-[amino-(1-oxo-2-phenylethyl)iminio]methyl]phenyl]-1-naphthalenesulfonate IUPAC Name: 2-[2-[(E)-[amino-(2-phenylacetyl)azaniumylidene]methyl]phenyl]naphthalene-1-sulfonate Traditional Name: 2-[2-[(E)-[amino-(2-phenylacetyl)iminio]methyl]phenyl]naphthalene-1-sulfonate Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)[N+](=CC2=CC=CC=C2C3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)/[N+](=C\C2=CC=CC=C2C3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])/N

InChI

InChI=1S/C25H20N2O4S/c26-27(24(28)16-18-8-2-1-3-9-18)17-20-11-5-6-12-21(20)23-15-14-19-10-4-7-13-22(19)25(23)32(29,30)31/h1-15,17H,16,26H2/b27-17+