phenyl 6-(1-formamido-3-oxidanylidene-propyl)-2-(2-hydroxyphenyl)-3-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-2-(2-hydroxyphenyl)-3-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 6-(1-formamido-3-oxo-propyl)-2-(2-hydroxyphenyl)-3-isopropylsulfonyl-benzenesulfonate CAS Name: 6-(1-formamido-3-oxopropyl)-2-(2-hydroxyphenyl)-3-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-(1-formamido-3-oxopropyl)-2-(2-hydroxyphenyl)-3-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 6-(1-formamido-3-keto-propyl)-2-(2-hydroxyphenyl)-3-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C25H25NO8S2 MolecularWeight: 531.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C25H25NO8S2/c1-17(2)35(30,31)23-13-12-19(21(14-15-27)26-16-28)25(24(23)20-10-6-7-11-22(20)29)36(32,33)34-18-8-4-3-5-9-18/h3-13,15-17,21,29H,14H2,1-2H3,(H,26,28)