2-[4-[(4-ethoxyphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[4-[(4-ethoxyphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[1-hydroxy-4-(p-phenetylsulfonylamino)-2-naphthyl]thio]propionic acid Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC(C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC(C)C(=O)O

InChI

InChI=1S/C21H21NO6S2/c1-3-28-14-8-10-15(11-9-14)30(26,27)22-18-12-19(29-13(2)21(24)25)20(23)17-7-5-4-6-16(17)18/h4-13,22-23H,3H2,1-2H3,(H,24,25)