2-[2-[4-[3-(cyanomethyl)phenyl]phenyl]sulfonylethoxy]naphthalene-1-carboxylic acid

Systemtic Name: 2-[2-[4-[3-(cyanomethyl)phenyl]phenyl]sulfonylethoxy]naphthalene-1-carboxylic acid Openeye Name: 2-[2-[4-[3-(cyanomethyl)phenyl]phenyl]sulfonylethoxy]naphthalene-1-carboxylic acid CAS Name: 2-[2-[4-[3-(cyanomethyl)phenyl]phenyl]sulfonylethoxy]-1-naphthalenecarboxylic acid IUPAC Name: 2-[2-[4-[3-(cyanomethyl)phenyl]phenyl]sulfonylethoxy]naphthalene-1-carboxylic acid Traditional Name: 2-[2-[4-[3-(cyanomethyl)phenyl]phenyl]sulfonylethoxy]-1-naphthoic acid Formula: C27H21NO5S MolecularWeight: 471.52434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C(=O)O)OCCS(=O)(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C(=O)O)OCCS(=O)(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)CC#N

InChI

InChI=1S/C27H21NO5S/c28-15-14-19-4-3-6-22(18-19)20-8-11-23(12-9-20)34(31,32)17-16-33-25-13-10-21-5-1-2-7-24(21)26(25)27(29)30/h1-13,18H,14,16-17H2,(H,29,30)