1-[3-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]-3-phenyl-propane-2-sulfonic acid

Systemtic Name: 1-[3-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]-3-phenyl-propane-2-sulfonic acid Openeye Name: 1-[3-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]-3-phenyl-propane-2-sulfonic acid CAS Name: 1-[3-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]-3-phenyl-2-propanesulfonic acid IUPAC Name: 1-[3-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]-3-phenylpropane-2-sulfonic acid Traditional Name: 1-[3-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]-3-phenyl-propane-2-sulfonic acid Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC=CC(=C1)CC(CC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC=CC(=C1)CC(CC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C18H22N2O5S2/c1-20(2)14-19-26(21,22)17-10-6-9-16(12-17)13-18(27(23,24)25)11-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13H2,1-2H3,(H,23,24,25)/b19-14+