phenyl 1-[(2-hydroxyphenyl)carbonylamino]-3-oxidanylidene-1-phenyl-3-propan-2-ylsulfonyl-propane-2-sulfonate

Systemtic Name: phenyl 1-[(2-hydroxyphenyl)carbonylamino]-3-oxidanylidene-1-phenyl-3-propan-2-ylsulfonyl-propane-2-sulfonate Openeye Name: phenyl 1-[(2-hydroxybenzoyl)amino]-3-isopropylsulfonyl-3-oxo-1-phenyl-propane-2-sulfonate CAS Name: 1-[[(2-hydroxyphenyl)-oxomethyl]amino]-3-oxo-1-phenyl-3-propan-2-ylsulfonyl-2-propanesulfonic acid IUPAC Name: phenyl 1-[(2-hydroxybenzoyl)amino]-3-oxo-1-phenyl-3-propan-2-ylsulfonylpropane-2-sulfonate Traditional Name: 1-isopropylsulfonyl-1-keto-3-phenyl-3-(salicyloylamino)propane-2-sulfonic acid phenyl ester Formula: C25H25NO8S2 MolecularWeight: 531.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C25H25NO8S2/c1-17(2)35(30,31)25(29)23(36(32,33)34-19-13-7-4-8-14-19)22(18-11-5-3-6-12-18)26-24(28)20-15-9-10-16-21(20)27/h3-17,22-23,27H,1-2H3,(H,26,28)