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

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-3-(2-hydroxyphenyl)-2-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 6-(1-formamido-3-oxo-propyl)-3-(2-hydroxyphenyl)-2-isopropylsulfonyl-benzenesulfonate CAS Name: 6-(1-formamido-3-oxopropyl)-3-(2-hydroxyphenyl)-2-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-(1-formamido-3-oxopropyl)-3-(2-hydroxyphenyl)-2-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 6-(1-formamido-3-keto-propyl)-3-(2-hydroxyphenyl)-2-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=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)C3=CC=CC=C3O

InChI

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