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

Systemtic Name: (2R)-2-[4-[(4-ethoxyphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: (2R)-2-[[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoate CAS Name: (2R)-2-[[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoate IUPAC Name: (2R)-2-[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[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)SC(C)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)S[C@H](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)/p-1/t13-/m1/s1