5-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]naphthalene-1-sulfinate

Systemtic Name: 5-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]naphthalene-1-sulfinate Openeye Name: 5-[2-(4-butoxyanilino)-2-oxo-ethyl]naphthalene-1-sulfinate CAS Name: 5-[2-(4-butoxyanilino)-2-oxoethyl]-1-naphthalenesulfinate IUPAC Name: 5-[2-(4-butoxyanilino)-2-oxoethyl]naphthalene-1-sulfinate Traditional Name: 5-[2-(4-butoxyanilino)-2-keto-ethyl]naphthalene-1-sulfinate Formula: C22H22NO4S- MolecularWeight: 396.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CC2=CC=CC3=C2C=CC=C3S(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CC2=CC=CC3=C2C=CC=C3S(=O)[O-]

InChI

InChI=1S/C22H23NO4S/c1-2-3-14-27-18-12-10-17(11-13-18)23-22(24)15-16-6-4-8-20-19(16)7-5-9-21(20)28(25)26/h4-13H,2-3,14-15H2,1H3,(H,23,24)(H,25,26)/p-1