2-[(4Z)-4-(4-tert-butylphenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[(4Z)-4-(4-tert-butylphenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[(4Z)-4-(4-tert-butylphenyl)sulfonylimino-1-oxo-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[(4Z)-4-(4-tert-butylphenyl)sulfonylimino-1-oxo-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[(4Z)-4-(4-tert-butylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[(4Z)-4-(4-tert-butylphenyl)sulfonylimino-1-keto-2-naphthyl]thio]acetic acid Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/N=C\2/C=C(C(=O)C3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C22H21NO5S2/c1-22(2,3)14-8-10-15(11-9-14)30(27,28)23-18-12-19(29-13-20(24)25)21(26)17-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3,(H,24,25)/b23-18-