3-[4-[(4-ethoxyphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate

Systemtic Name: 3-[4-[(4-ethoxyphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[1-hydroxy-4-(p-phenetylsulfonylamino)-2-naphthyl]thio]propionate Formula: C21H20NO6S2- MolecularWeight: 446.5166

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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)SCCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)[O-]

InChI

InChI=1S/C21H21NO6S2/c1-2-28-14-7-9-15(10-8-14)30(26,27)22-18-13-19(29-12-11-20(23)24)21(25)17-6-4-3-5-16(17)18/h3-10,13,22,25H,2,11-12H2,1H3,(H,23,24)/p-1